2-Thiophenepropionic acid - CAS 5928-51-8
Catalog: |
BB030327 |
Product Name: |
2-Thiophenepropionic acid |
CAS: |
5928-51-8 |
Synonyms: |
3-thiophen-2-ylpropanoic acid |
Application: |
3-(Thiophen-2-yl)propionic Acid (Eprosartan USP Related Compound B) is an intermediate in the synthesis of Eprosartan (E590100), a prototype of the imidazoleacrylic acid angiotensin II receptor antagonists used as an antihypertensive agent. |
IUPAC Name: | 3-thiophen-2-ylpropanoic acid |
Description: | An impurity of Eprosartan. Eprosartan is an angiotensin II receptor antagonist used for the treatment of high blood pressure. |
Molecular Weight: | 156.20 |
Molecular Formula: | C7H8O2S |
Canonical SMILES: | C1=CSC(=C1)CCC(=O)O |
InChI: | InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9) |
InChI Key: | MJPVYTKZYZPIQA-UHFFFAOYSA-N |
Boiling Point: | 280.5 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.271 g/cm3 |
Appearance: | Solid powder |
MDL: | MFCD00047093 |
LogP: | 1.76530 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021122728-A1 | 1,5-diphenylpyrazolyl-3-oxyalkyl acids and 1-phenyl-5-thienylpyrazolyl-3-oxyalkyl acids and the use thereof for control of undesired plant growth | 20191219 |
WO-2018165575-A2 | Warhead-containing peptidomimetic macrocycles as modulators of bfl-1 | 20170309 |
EP-3432904-A2 | Companion diagnostic tool for peptidomimetic macrocycles | 20160321 |
WO-2017165299-A2 | Companion diagnostic tool for peptidomimetic macrocycles | 20160321 |
US-2017152443-A1 | Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element | 20151201 |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.02450067 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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