N-(cyanomethyl)-3-iodobenzamide
TL;DR: N-(cyanomethyl)-3-iodobenzamide (CAS 333441-62-6) is a chemical compound with molecular formula C9H7IN2O and molecular weight 285.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-3-iodobenzamide
Also Known As: N-(cyanomethyl)-3-iodobenzamide, N-Cyanomethyl-3-iodo-benzamide, BAS 01935390, N-(cyanomethyl)(3-iodophenyl)carboxamide
| Molecular Formula | C9H7IN2O |
|---|---|
| Molecular Weight | 285.96 g/mol |
| LogP | 1.54458 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.9603 |
| Heavy Atoms | 13 |
| Complexity | 356.8775 |
Chemical Identifiers
| CAS Number | 333441-62-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C(=O)NCC#N |
Product Overview
N-(cyanomethyl)-3-iodobenzamide (CAS 333441-62-6), with molecular formula C9H7IN2O and molecular weight 285.96 g/mol. IUPAC: N-(cyanomethyl)-3-iodobenzamide.
Chemical Property Profile of N-(cyanomethyl)-3-iodobenzamide
Property Insights of N-(cyanomethyl)-3-iodobenzamide
The XLogP value of 1.54458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-3-iodobenzamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-(cyanomethyl)-3-iodobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(cyanomethyl)-3-iodobenzamide 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 N-(cyanomethyl)-3-iodobenzamide?
The CAS number of N-(cyanomethyl)-3-iodobenzamide is 333441-62-6.
What is the molecular formula of N-(cyanomethyl)-3-iodobenzamide?
The molecular formula of N-(cyanomethyl)-3-iodobenzamide is C9H7IN2O.
What is the molecular weight of N-(cyanomethyl)-3-iodobenzamide?
The molecular weight of N-(cyanomethyl)-3-iodobenzamide is 285.96 g/mol.
Where can I buy N-(cyanomethyl)-3-iodobenzamide?
You can request a quote for N-(cyanomethyl)-3-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(cyanomethyl)-3-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-3-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.