4-(4-Methoxyphenyl)butyric acid - CAS 4521-28-2
Catalog: |
BB025790 |
Product Name: |
4-(4-Methoxyphenyl)butyric acid |
CAS: |
4521-28-2 |
Synonyms: |
4-(4-methoxyphenyl)butanoic acid |
IUPAC Name: | 4-(4-methoxyphenyl)butanoic acid |
Description: | 4-(4-Methoxyphenyl)butyric acid (CAS# 4521-28-2) is a 4-Phenylbutyric Acid (4-PBA) derivative which displays protective effects against endoplasmic reticulum stress-induced neuronal cell death. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | COC1=CC=C(C=C1)CCCC(=O)O |
InChI: | InChI=1S/C11H14O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13) |
InChI Key: | LZHMNCJMXQKSBY-UHFFFAOYSA-N |
Boiling Point: | 196 °C / 10 mmHg, 334.8 °C at 760 mmHg |
Density: | 1.116 g/cm3 |
MDL: | MFCD00004404 |
LogP: | 2.10250 |
GHS Hazard Statement: | H315 (100%): 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 |
CN-112062691-A | Citral phenylbutyrate oxime ester compound and synthesis method and application thereof | 20200618 |
CN-113493438-A | Tetrahydroisoquinoline compounds | 20200320 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2020252598-A1 | Radiolabeled compounds targeting the prostate-specific membrane antigen | 20190621 |
WO-2020210919-A1 | Novel radiolabelled cxcr4-targeting compounds for diagnosis and therapy | 20190418 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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