间甲基苯乙酸
TL;DR: 间甲基苯乙酸 (CAS 621-36-3) 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.
间甲基苯乙酸
2-(3-methylphenyl)acetic acid
Also Known As: m-Tolylacetic acid, 3-Methylphenylacetic acid, 2-(m-Tolyl)acetic acid, 3-tolylacetic acid, 2-(3-methylphenyl)acetic 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 |
| Melting Point | 62 °C |
Chemical Identifiers
| CAS Number | 621-36-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC(=O)O |
| InChIKey | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间甲基苯乙酸 (CAS 621-36-3), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 2-(3-methylphenyl)acetic acid.
Chemical Property Profile of 间甲基苯乙酸
Property Insights of 间甲基苯乙酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间甲基苯乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 间甲基苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间甲基苯乙酸 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 间甲基苯乙酸?
The CAS number of 间甲基苯乙酸 is 621-36-3.
What is the molecular formula of 间甲基苯乙酸?
The molecular formula of 间甲基苯乙酸 is C9H10O2.
What is the molecular weight of 间甲基苯乙酸?
The molecular weight of 间甲基苯乙酸 is 150.07 g/mol.
Where can I buy 间甲基苯乙酸?
You can request a quote for 间甲基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间甲基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 间甲基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.