邻羧基苯乙酸
TL;DR: 邻羧基苯乙酸 (CAS 89-51-0) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻羧基苯乙酸
2-(carboxymethyl)benzoic acid
Also Known As: Homophthalic acid, 2-(Carboxymethyl)benzoic acid, 2-Carboxybenzeneacetic acid, Benzeneacetic acid, 2-carboxy-, Homophthalicacid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 89-51-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)C(=O)O |
| InChIKey | ZHQLTKAVLJKSKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻羧基苯乙酸 (CAS 89-51-0), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 2-(carboxymethyl)benzoic acid.
Chemical Property Profile of 邻羧基苯乙酸
Property Insights of 邻羧基苯乙酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻羧基苯乙酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻羧基苯乙酸. Following Lipinski's Rule of Five, 邻羧基苯乙酸 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 邻羧基苯乙酸?
The CAS number of 邻羧基苯乙酸 is 89-51-0.
What is the molecular formula of 邻羧基苯乙酸?
The molecular formula of 邻羧基苯乙酸 is C9H8O4.
What is the molecular weight of 邻羧基苯乙酸?
The molecular weight of 邻羧基苯乙酸 is 180.04 g/mol.
Where can I buy 邻羧基苯乙酸?
You can request a quote for 邻羧基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻羧基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 邻羧基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.