3-(2-羧基苯基)丙酸
TL;DR: 3-(2-羧基苯基)丙酸 (CAS 1091606-67-5) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-羧基苯基)丙酸
2-(2-carboxyethyl)benzoic acid
Also Known As: 2-(2-carboxyethyl)benzoic acid, 3-(2-Carboxyphenyl)propionic acid, 2-Carboxybenzenepropanoic acid, 2-Carboxyhydrocinnamic acid, BENZENEPROPANOIC ACID, 2-CARBOXY-
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 1091606-67-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCC(=O)O)C(=O)O |
| InChIKey | VEEXBQLWMFMATJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-羧基苯基)丙酸 (CAS 1091606-67-5), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-(2-carboxyethyl)benzoic acid.
Chemical Property Profile of 3-(2-羧基苯基)丙酸
Property Insights of 3-(2-羧基苯基)丙酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-羧基苯基)丙酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-羧基苯基)丙酸. Following Lipinski's Rule of Five, 3-(2-羧基苯基)丙酸 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-羧基苯基)丙酸?
The CAS number of 3-(2-羧基苯基)丙酸 is 1091606-67-5.
What is the molecular formula of 3-(2-羧基苯基)丙酸?
The molecular formula of 3-(2-羧基苯基)丙酸 is C10H10O4.
What is the molecular weight of 3-(2-羧基苯基)丙酸?
The molecular weight of 3-(2-羧基苯基)丙酸 is 194.06 g/mol.
Where can I buy 3-(2-羧基苯基)丙酸?
You can request a quote for 3-(2-羧基苯基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-羧基苯基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-羧基苯基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.