2-(Carboxymethyl)-3-methylbenzoic acid
TL;DR: 2-(Carboxymethyl)-3-methylbenzoic acid (CAS 84944-41-2) 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.
2-(carboxymethyl)-3-methylbenzoic acid
Also Known As: 2-(Carboxymethyl)-3-methylbenzoic acid, 3-methylhomophthalic acid, Phenacetic acid, 2-carboxy-6-methyl-, 2-(carboxymethyl)-3-methyl-benzoic acid, 2-(Carboxymethyl)-3-methylbenzoic acid #
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 84944-41-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)O)CC(=O)O |
| InChIKey | ZCPDETLIGYLUHS-UHFFFAOYSA-N |
Product Overview
2-(Carboxymethyl)-3-methylbenzoic acid (CAS 84944-41-2), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-(carboxymethyl)-3-methylbenzoic acid.
Chemical Property Profile of 2-(Carboxymethyl)-3-methylbenzoic acid
Property Insights of 2-(Carboxymethyl)-3-methylbenzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Carboxymethyl)-3-methylbenzoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Carboxymethyl)-3-methylbenzoic acid. Following Lipinski's Rule of Five, 2-(Carboxymethyl)-3-methylbenzoic 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 2-(Carboxymethyl)-3-methylbenzoic acid?
The CAS number of 2-(Carboxymethyl)-3-methylbenzoic acid is 84944-41-2.
What is the molecular formula of 2-(Carboxymethyl)-3-methylbenzoic acid?
The molecular formula of 2-(Carboxymethyl)-3-methylbenzoic acid is C10H10O4.
What is the molecular weight of 2-(Carboxymethyl)-3-methylbenzoic acid?
The molecular weight of 2-(Carboxymethyl)-3-methylbenzoic acid is 194.06 g/mol.
Where can I buy 2-(Carboxymethyl)-3-methylbenzoic acid?
You can request a quote for 2-(Carboxymethyl)-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Carboxymethyl)-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Carboxymethyl)-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.