2'-Bromo-4'-cyanoacetanilide
TL;DR: 2'-Bromo-4'-cyanoacetanilide (CAS 656834-86-5) 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.
N-(2-bromo-4-cyanophenyl)acetamide
Also Known As: 2'-Bromo-4'-cyanoacetanilide, N-(2-bromo-4-cyanophenyl)acetamide, N-(2-bromo-4-cyano-phenyl)acetamide, Acetamide,N-(2-bromo-4-cyanophenyl)-
| Molecular Formula | C9H7BrN2O |
|---|---|
| Molecular Weight | 237.97 g/mol |
| LogP | 2.27918 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.97418 |
| Heavy Atoms | 13 |
| Complexity | 381.69135 |
Chemical Identifiers
| CAS Number | 656834-86-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C#N)Br |
Product Overview
2'-Bromo-4'-cyanoacetanilide (CAS 656834-86-5), with molecular formula C9H7BrN2O and molecular weight 237.97 g/mol. IUPAC: N-(2-bromo-4-cyanophenyl)acetamide.
Chemical Property Profile of 2'-Bromo-4'-cyanoacetanilide
Property Insights of 2'-Bromo-4'-cyanoacetanilide
The XLogP value of 2.27918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Bromo-4'-cyanoacetanilide. With a topological polar surface area (TPSA) of 52.89 Ų, 2'-Bromo-4'-cyanoacetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Bromo-4'-cyanoacetanilide 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 2'-Bromo-4'-cyanoacetanilide?
The CAS number of 2'-Bromo-4'-cyanoacetanilide is 656834-86-5.
What is the molecular formula of 2'-Bromo-4'-cyanoacetanilide?
The molecular formula of 2'-Bromo-4'-cyanoacetanilide is C9H7BrN2O.
What is the molecular weight of 2'-Bromo-4'-cyanoacetanilide?
The molecular weight of 2'-Bromo-4'-cyanoacetanilide is 237.97 g/mol.
Where can I buy 2'-Bromo-4'-cyanoacetanilide?
You can request a quote for 2'-Bromo-4'-cyanoacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Bromo-4'-cyanoacetanilide?
Yes, KEHONG BIO provides custom synthesis services for 2'-Bromo-4'-cyanoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.