2-Amino-3-bromo-5-nitrobenzonitrile
TL;DR: 2-Amino-3-bromo-5-nitrobenzonitrile (CAS 17601-94-4) is a chemical compound with molecular formula C7H4BrN3O2 and molecular weight 240.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-bromo-5-nitrobenzonitrile
Also Known As: 2-Amino-3-bromo-5-nitrobenzonitrile, Benzonitrile, 2-amino-3-bromo-5-nitro-, 6-bromo-2-cyano-4-nitroaniline, 2-Bromo-6-cyano-4-nitroaniline, 2-bromo-4-nitro-6-cyanoaniline
| Molecular Formula | C7H4BrN3O2 |
|---|---|
| Molecular Weight | 240.95 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.94868 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 17601-94-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C#N)N)Br)[N+](=O)[O-] |
| InChIKey | MUHLVSZIVTURCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3-bromo-5-nitrobenzonitrile (CAS 17601-94-4), with molecular formula C7H4BrN3O2 and molecular weight 240.95 g/mol. IUPAC: 2-amino-3-bromo-5-nitrobenzonitrile.
Chemical Property Profile of 2-Amino-3-bromo-5-nitrobenzonitrile
Property Insights of 2-Amino-3-bromo-5-nitrobenzonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-bromo-5-nitrobenzonitrile. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-bromo-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-Amino-3-bromo-5-nitrobenzonitrile has 1 hydrogen bond donor(s) and 4 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-Amino-3-bromo-5-nitrobenzonitrile?
The CAS number of 2-Amino-3-bromo-5-nitrobenzonitrile is 17601-94-4.
What is the molecular formula of 2-Amino-3-bromo-5-nitrobenzonitrile?
The molecular formula of 2-Amino-3-bromo-5-nitrobenzonitrile is C7H4BrN3O2.
What is the molecular weight of 2-Amino-3-bromo-5-nitrobenzonitrile?
The molecular weight of 2-Amino-3-bromo-5-nitrobenzonitrile is 240.95 g/mol.
Where can I buy 2-Amino-3-bromo-5-nitrobenzonitrile?
You can request a quote for 2-Amino-3-bromo-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-bromo-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-bromo-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.