4-(Carboxymethyl)benzoic Acid
TL;DR: 4-(Carboxymethyl)benzoic Acid (CAS 5449-88-7) 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.
4-(carboxymethyl)benzoic acid
Also Known As: 4-CARBOXYPHENYLACETIC ACID, 4-(carboxymethyl)benzoic acid, 4-Carboxymethylbenzoic acid, 4-Carboxybenzeneacetic acid, Homoterephthalic acid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.1 |
| 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 | 204.0 |
Chemical Identifiers
| CAS Number | 5449-88-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)C(=O)O |
| InChIKey | DMEDOWYXHVUPMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Carboxymethyl)benzoic Acid (CAS 5449-88-7), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 4-(carboxymethyl)benzoic acid.
Chemical Property Profile of 4-(Carboxymethyl)benzoic Acid
Property Insights of 4-(Carboxymethyl)benzoic Acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Carboxymethyl)benzoic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carboxymethyl)benzoic Acid. Following Lipinski's Rule of Five, 4-(Carboxymethyl)benzoic Acid 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 4-(Carboxymethyl)benzoic Acid?
The CAS number of 4-(Carboxymethyl)benzoic Acid is 5449-88-7.
What is the molecular formula of 4-(Carboxymethyl)benzoic Acid?
The molecular formula of 4-(Carboxymethyl)benzoic Acid is C9H8O4.
What is the molecular weight of 4-(Carboxymethyl)benzoic Acid?
The molecular weight of 4-(Carboxymethyl)benzoic Acid is 180.04 g/mol.
Where can I buy 4-(Carboxymethyl)benzoic Acid?
You can request a quote for 4-(Carboxymethyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Carboxymethyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Carboxymethyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.