Phenacetic acid, 2-carboxy-3-methyl-
TL;DR: Phenacetic acid, 2-carboxy-3-methyl- (CAS 84944-40-1) 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)-6-methylbenzoic acid
Also Known As: 6-methylhomophthalic acid, 2-(Carboxymethyl)-6-methylbenzoic acid, Phenacetic acid, 2-carboxy-3-methyl-, 2-(Carboxymethyl)-6-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 | 84944-40-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CC(=O)O)C(=O)O |
| InChIKey | NLKOKXUFQUCWST-UHFFFAOYSA-N |
Product Overview
Phenacetic acid, 2-carboxy-3-methyl- (CAS 84944-40-1), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-(carboxymethyl)-6-methylbenzoic acid.
Chemical Property Profile of Phenacetic acid, 2-carboxy-3-methyl-
Property Insights of Phenacetic acid, 2-carboxy-3-methyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenacetic acid, 2-carboxy-3-methyl-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenacetic acid, 2-carboxy-3-methyl-. Following Lipinski's Rule of Five, Phenacetic acid, 2-carboxy-3-methyl- 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 Phenacetic acid, 2-carboxy-3-methyl-?
The CAS number of Phenacetic acid, 2-carboxy-3-methyl- is 84944-40-1.
What is the molecular formula of Phenacetic acid, 2-carboxy-3-methyl-?
The molecular formula of Phenacetic acid, 2-carboxy-3-methyl- is C10H10O4.
What is the molecular weight of Phenacetic acid, 2-carboxy-3-methyl-?
The molecular weight of Phenacetic acid, 2-carboxy-3-methyl- is 194.06 g/mol.
Where can I buy Phenacetic acid, 2-carboxy-3-methyl-?
You can request a quote for Phenacetic acid, 2-carboxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacetic acid, 2-carboxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenacetic acid, 2-carboxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.