o-Tolylacetic acid
TL;DR: o-Tolylacetic acid (CAS 644-36-0) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenyl)acetic acid
Also Known As: o-Tolylacetic acid, 2-Methylphenylacetic acid, 2-(2-methylphenyl)acetic acid, (2-methylphenyl)acetic acid, 2-Tolylacetic acid
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 644-36-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CC(=O)O |
| InChIKey | RZWGTXHSYZGXKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Tolylacetic acid (CAS 644-36-0), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 2-(2-methylphenyl)acetic acid.
Chemical Property Profile of o-Tolylacetic acid
Property Insights of o-Tolylacetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Tolylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, o-Tolylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Tolylacetic acid has 1 hydrogen bond donor(s) and 2 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 o-Tolylacetic acid?
The CAS number of o-Tolylacetic acid is 644-36-0.
What is the molecular formula of o-Tolylacetic acid?
The molecular formula of o-Tolylacetic acid is C9H10O2.
What is the molecular weight of o-Tolylacetic acid?
The molecular weight of o-Tolylacetic acid is 150.07 g/mol.
Where can I buy o-Tolylacetic acid?
You can request a quote for o-Tolylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Tolylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for o-Tolylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.