4-Amino-2-bromobenzonitrile
TL;DR: 4-Amino-2-bromobenzonitrile (CAS 53312-82-6) is a chemical compound with molecular formula C7H5BrN2 and molecular weight 195.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-bromobenzonitrile
Also Known As: 4-amino-2-bromobenzonitrile, 2-Bromo-4-aminobenzonitrile, 4-amino-2-bromo-benzonitrile, Benzonitrile,4-amino-2-bromo-, 4-Amino-2-bromobenzonitrile, 97% - 5G 5g
| Molecular Formula | C7H5BrN2 |
|---|---|
| Molecular Weight | 195.96 g/mol |
| LogP | 1.90298 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.96361 |
| Heavy Atoms | 10 |
| Complexity | 288.14786 |
Chemical Identifiers
| CAS Number | 53312-82-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Br)C#N |
Product Overview
4-Amino-2-bromobenzonitrile (CAS 53312-82-6), with molecular formula C7H5BrN2 and molecular weight 195.96 g/mol. IUPAC: 4-amino-2-bromobenzonitrile.
Chemical Property Profile of 4-Amino-2-bromobenzonitrile
Property Insights of 4-Amino-2-bromobenzonitrile
The XLogP value of 1.90298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-bromobenzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 4-Amino-2-bromobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-2-bromobenzonitrile 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-Amino-2-bromobenzonitrile?
The CAS number of 4-Amino-2-bromobenzonitrile is 53312-82-6.
What is the molecular formula of 4-Amino-2-bromobenzonitrile?
The molecular formula of 4-Amino-2-bromobenzonitrile is C7H5BrN2.
What is the molecular weight of 4-Amino-2-bromobenzonitrile?
The molecular weight of 4-Amino-2-bromobenzonitrile is 195.96 g/mol.
Where can I buy 4-Amino-2-bromobenzonitrile?
You can request a quote for 4-Amino-2-bromobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-bromobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-bromobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.