2-Methylbenzamide
TL;DR: 2-Methylbenzamide (CAS 527-85-5) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbenzamide
Also Known As: o-Toluamide, 2-METHYLBENZAMIDE, o-Methylbenzamide, o-Toluic amide, o-Tolylamide
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
| Melting Point | 291 to 147.2 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 0.000319 [mmHg] |
Chemical Identifiers
| CAS Number | 527-85-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N |
| InChIKey | XXUNIGZDNWWYED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbenzamide (CAS 527-85-5), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 2-methylbenzamide.
Chemical Property Profile of 2-Methylbenzamide
Property Insights of 2-Methylbenzamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 2-Methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzamide has 1 hydrogen bond donor(s) and 1 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-Methylbenzamide?
The CAS number of 2-Methylbenzamide is 527-85-5.
What is the molecular formula of 2-Methylbenzamide?
The molecular formula of 2-Methylbenzamide is C8H9NO.
What is the molecular weight of 2-Methylbenzamide?
The molecular weight of 2-Methylbenzamide is 135.07 g/mol.
Where can I buy 2-Methylbenzamide?
You can request a quote for 2-Methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.