4-bromo-N-(cyanomethyl)benzamide
TL;DR: 4-bromo-N-(cyanomethyl)benzamide (CAS 99208-44-3) is a chemical compound with molecular formula C9H7BrN2O and molecular weight 237.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(cyanomethyl)benzamide
Also Known As: 4-bromo-N-(cyanomethyl)benzamide, TimTec1_002930, 4-Bromo-N-cyanomethyl-benzamide, BAS 00623305, (4-bromophenyl)-N-(cyanomethyl)carboxamide
| Molecular Formula | C9H7BrN2O |
|---|---|
| Molecular Weight | 237.97 g/mol |
| LogP | 1.70248 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.97418 |
| Heavy Atoms | 13 |
| Complexity | 339.6275 |
Chemical Identifiers
| CAS Number | 99208-44-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC#N)Br |
Product Overview
4-bromo-N-(cyanomethyl)benzamide (CAS 99208-44-3), with molecular formula C9H7BrN2O and molecular weight 237.97 g/mol. IUPAC: 4-bromo-N-(cyanomethyl)benzamide.
Chemical Property Profile of 4-bromo-N-(cyanomethyl)benzamide
Property Insights of 4-bromo-N-(cyanomethyl)benzamide
The XLogP value of 1.70248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-(cyanomethyl)benzamide. With a topological polar surface area (TPSA) of 52.89 Ų, 4-bromo-N-(cyanomethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(cyanomethyl)benzamide 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 4-bromo-N-(cyanomethyl)benzamide?
The CAS number of 4-bromo-N-(cyanomethyl)benzamide is 99208-44-3.
What is the molecular formula of 4-bromo-N-(cyanomethyl)benzamide?
The molecular formula of 4-bromo-N-(cyanomethyl)benzamide is C9H7BrN2O.
What is the molecular weight of 4-bromo-N-(cyanomethyl)benzamide?
The molecular weight of 4-bromo-N-(cyanomethyl)benzamide is 237.97 g/mol.
Where can I buy 4-bromo-N-(cyanomethyl)benzamide?
You can request a quote for 4-bromo-N-(cyanomethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(cyanomethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(cyanomethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.