2-Methylbenzoyl cyanide
TL;DR: 2-Methylbenzoyl cyanide (CAS 5955-73-7) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbenzoyl cyanide
Also Known As: 2-Methylbenzoyl cyanide, Oxo-o-tolyl-acetonitrile, 2-METHYLBENZOYLCYANIDE, 2-oxo-(o-tolyl)acetonitrile, WYXWANVHOUGOBI-UHFFFAOYSA
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 1.7013 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 322.57977 |
Chemical Identifiers
| CAS Number | 5955-73-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)C#N |
Product Overview
2-Methylbenzoyl cyanide (CAS 5955-73-7), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 2-methylbenzoyl cyanide.
Chemical Property Profile of 2-Methylbenzoyl cyanide
Property Insights of 2-Methylbenzoyl cyanide
The XLogP value of 1.7013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzoyl cyanide. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Methylbenzoyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzoyl cyanide 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 2-Methylbenzoyl cyanide?
The CAS number of 2-Methylbenzoyl cyanide is 5955-73-7.
What is the molecular formula of 2-Methylbenzoyl cyanide?
The molecular formula of 2-Methylbenzoyl cyanide is C9H7NO.
What is the molecular weight of 2-Methylbenzoyl cyanide?
The molecular weight of 2-Methylbenzoyl cyanide is 145.05 g/mol.
Where can I buy 2-Methylbenzoyl cyanide?
You can request a quote for 2-Methylbenzoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbenzoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbenzoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.