3-Amino-3-(4-bromophenyl)prop-2-enenitrile
TL;DR: 3-Amino-3-(4-bromophenyl)prop-2-enenitrile (CAS 71682-87-6) is a chemical compound with molecular formula C9H7BrN2 and molecular weight 221.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-(4-bromophenyl)prop-2-enenitrile
Also Known As: 3-Amino-3-(4-bromophenyl)acrylonitrile, 3-amino-3-(4-bromophenyl)prop-2-enenitrile, (E)-3-amino-3-(4-bromophenyl)acrylonitrile, (Z)-3-AMINO-3-(4-BROMO-PHENYL)-ACRYLONITRILE
| Molecular Formula | C9H7BrN2 |
|---|---|
| Molecular Weight | 221.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.97926 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 71682-87-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC#N)N)Br |
| InChIKey | AHDJAZMPXGPTEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-3-(4-bromophenyl)prop-2-enenitrile (CAS 71682-87-6), with molecular formula C9H7BrN2 and molecular weight 221.98 g/mol. IUPAC: 3-amino-3-(4-bromophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-Amino-3-(4-bromophenyl)prop-2-enenitrile
Property Insights of 3-Amino-3-(4-bromophenyl)prop-2-enenitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-(4-bromophenyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Amino-3-(4-bromophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-3-(4-bromophenyl)prop-2-enenitrile 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 3-Amino-3-(4-bromophenyl)prop-2-enenitrile?
The CAS number of 3-Amino-3-(4-bromophenyl)prop-2-enenitrile is 71682-87-6.
What is the molecular formula of 3-Amino-3-(4-bromophenyl)prop-2-enenitrile?
The molecular formula of 3-Amino-3-(4-bromophenyl)prop-2-enenitrile is C9H7BrN2.
What is the molecular weight of 3-Amino-3-(4-bromophenyl)prop-2-enenitrile?
The molecular weight of 3-Amino-3-(4-bromophenyl)prop-2-enenitrile is 221.98 g/mol.
Where can I buy 3-Amino-3-(4-bromophenyl)prop-2-enenitrile?
You can request a quote for 3-Amino-3-(4-bromophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-(4-bromophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-(4-bromophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.