2-Amino-3,5-dibromobenzonitrile
TL;DR: 2-Amino-3,5-dibromobenzonitrile (CAS 68385-95-5) is a chemical compound with molecular formula C7H4Br2N2 and molecular weight 273.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3,5-dibromobenzonitrile
Also Known As: 2-Amino-3,5-dibromobenzonitrile, 3,5-Dibromo-2-Aminobenzonitrile, 2-amino-3,5-dibromo-Benzonitrile, Benzonitrile,2-amino-3,5-dibromo-, BUTTPARK 37\12-53
| Molecular Formula | C7H4Br2N2 |
|---|---|
| Molecular Weight | 273.87 g/mol |
| LogP | 2.66548 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.8741 |
| Heavy Atoms | 11 |
| Complexity | 327.94785 |
Chemical Identifiers
| CAS Number | 68385-95-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C#N)N)Br)Br |
Product Overview
2-Amino-3,5-dibromobenzonitrile (CAS 68385-95-5), with molecular formula C7H4Br2N2 and molecular weight 273.87 g/mol. IUPAC: 2-amino-3,5-dibromobenzonitrile.
Chemical Property Profile of 2-Amino-3,5-dibromobenzonitrile
Property Insights of 2-Amino-3,5-dibromobenzonitrile
The XLogP value of 2.66548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3,5-dibromobenzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Amino-3,5-dibromobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-3,5-dibromobenzonitrile 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-Amino-3,5-dibromobenzonitrile?
The CAS number of 2-Amino-3,5-dibromobenzonitrile is 68385-95-5.
What is the molecular formula of 2-Amino-3,5-dibromobenzonitrile?
The molecular formula of 2-Amino-3,5-dibromobenzonitrile is C7H4Br2N2.
What is the molecular weight of 2-Amino-3,5-dibromobenzonitrile?
The molecular weight of 2-Amino-3,5-dibromobenzonitrile is 273.87 g/mol.
Where can I buy 2-Amino-3,5-dibromobenzonitrile?
You can request a quote for 2-Amino-3,5-dibromobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3,5-dibromobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3,5-dibromobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.