2-Methylbenzamide
TL;DR: 2-Methylbenzamide (CAS 527-85-5) is a chemical compound with molecular formula C8H9NO and molecular weight 135.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbenzamide
Also Known As: o-Toluamide, 2-METHYLBENZAMIDE, o-Methylbenzamide, o-Toluic amide, o-Tolylamide
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.06842 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.06842 Da |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
| Melting Point | 291 to 297 °F (NTP, 1992) |
| Vapor Pressure | 0.000319 [mmHg] |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CC1=CC=CC=C1C(=O)N |
| InChIKey | XXUNIGZDNWWYED-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylbenzamide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methylbenzamide (CAS 527-85-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Methylbenzamide (CAS 527-85-5) is a heterocyclic building block with the molecular formula C8H9NO and a molecular weight of 135.07 g/mol. Key physical properties include a solubility: less than 1 mg/mL at 72 °F (NTP, 1992). It is also known as o-Toluamide and 2-METHYLBENZAMIDE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 135.06842 g/mol.
What are the applications of 2-Methylbenzamide?
2-Methylbenzamide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methylbenzamide (CAS 527-85-5) with...
Where can I buy 2-Methylbenzamide?
You can request a quote for 2-Methylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbenzamide?
Yes, CoreyChem provides custom synthesis services for 2-Methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.