4-(2-Thienyl)butyric acid - CAS 4653-11-6
Catalog: |
BB026151 |
Product Name: |
4-(2-Thienyl)butyric acid |
CAS: |
4653-11-6 |
Synonyms: |
4-thiophen-2-ylbutanoic acid |
IUPAC Name: | 4-thiophen-2-ylbutanoic acid |
Description: | 4-(2-Thienyl)butyric acid (CAS# 4653-11-6) is used to prepare cell-penetrating peptide α-keto-amide calpain inhibitors as potential treatment for muscular dystrophy. it is also used to prepare isochroman carboxylic acid derivatives as potential anti-diabetic agents. |
Molecular Weight: | 170.23 |
Molecular Formula: | C8H10O2S |
Canonical SMILES: | C1=CSC(=C1)CCCC(=O)O |
InChI: | InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10) |
InChI Key: | VYTXLSQVYGNWLV-UHFFFAOYSA-N |
Boiling Point: | 296.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.169 g/cm3 |
Appearance: | Clear slightly brownish liquid |
MDL: | MFCD00005463 |
LogP: | 2.15540 |
GHS Hazard Statement: | H315 (97.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020228170-A1 | Catalyst-free synthesis method for lactam derivative | 20190516 |
WO-2019232127-A1 | Sensor that detects an analyte in the presence of an interfering stimulus | 20180601 |
US-2021156837-A1 | Sensor that detects an analyte in the presence of an interfering stimulus | 20180601 |
KR-20190082673-A | Novel metal complex, process for producing the same, and method for producing γ-lactam compound using the same | 20180102 |
WO-2019135600-A1 | Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same | 20180102 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
11712905 | 20011101 | Antibodies directed to drug epitopes to investigate the structure of drug-protein photoadducts. Recognition of a common photobound substructure in tiaprofenic acid/ketoprofen cross-photoreactivity | Chemical research in toxicology |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.04015073 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
-
Catalog: BB008323
(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2,2-Di(2-thienyl)glycolate
Detail
-
Catalog: BB013162
3-Methoxythiophene
Detail
-
Catalog: BB000056
3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
Detail
-
Catalog: BB008259
3,4'-Dihexyl-2,2'-bithiophene
Detail
-
Catalog: BB076870
Ethyl (2-thenoyl)acetate
Detail
-
Catalog: BB011169
3,4-Propylenedioxythiophene
Detail
-
Catalog: BB000169
γ-Thiobutyrolactone
Detail
-
Catalog: BB076894
3,4-Dihydroxythiophene-2,5-dicarboxylic acid diethyl ester
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Thiophenes
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS