3-甲基苯甲酸甲酯
TL;DR: 3-甲基苯甲酸甲酯 (CAS 99-36-5) 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.
3-甲基苯甲酸甲酯
methyl 3-methylbenzoate
Also Known As: Methyl 3-methylbenzoate, METHYL M-TOLUATE, Methyl 3-toluate, Methyl m-methylbenzoate, isobutylstearate
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| Vapor Pressure | 0.16 [mmHg] |
Chemical Identifiers
| CAS Number | 99-36-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC |
| InChIKey | CPXCDEMFNPKOEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基苯甲酸甲酯 (CAS 99-36-5), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: methyl 3-methylbenzoate.
Chemical Property Profile of 3-甲基苯甲酸甲酯
Property Insights of 3-甲基苯甲酸甲酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基苯甲酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 3-甲基苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基苯甲酸甲酯 has 0 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 3-甲基苯甲酸甲酯?
The CAS number of 3-甲基苯甲酸甲酯 is 99-36-5.
What is the molecular formula of 3-甲基苯甲酸甲酯?
The molecular formula of 3-甲基苯甲酸甲酯 is C9H10O2.
What is the molecular weight of 3-甲基苯甲酸甲酯?
The molecular weight of 3-甲基苯甲酸甲酯 is 150.07 g/mol.
Where can I buy 3-甲基苯甲酸甲酯?
You can request a quote for 3-甲基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.