2-Bromoacrylonitrile
TL;DR: 2-Bromoacrylonitrile (CAS 920-34-3) is a chemical compound with molecular formula C3H2BrN and molecular weight 130.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoprop-2-enenitrile
Also Known As: 2-Bromoacrylonitrile, 2-bromoprop-2-enenitrile, Mosapramine, 2-Propenenitrile, 2-bromo-, 2-bromo-2-propenenitrile
| Molecular Formula | C3H2BrN |
|---|---|
| Molecular Weight | 130.94 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.93706 |
| Heavy Atoms | 5 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 920-34-3 |
|---|---|
| SMILES | C=C(C#N)Br |
| InChIKey | CMPIGRYBIGUGTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoacrylonitrile (CAS 920-34-3), with molecular formula C3H2BrN and molecular weight 130.94 g/mol. IUPAC: 2-bromoprop-2-enenitrile.
Chemical Property Profile of 2-Bromoacrylonitrile
Property Insights of 2-Bromoacrylonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoacrylonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Bromoacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoacrylonitrile has 0 hydrogen bond donor(s) and 1 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-Bromoacrylonitrile?
The CAS number of 2-Bromoacrylonitrile is 920-34-3.
What is the molecular formula of 2-Bromoacrylonitrile?
The molecular formula of 2-Bromoacrylonitrile is C3H2BrN.
What is the molecular weight of 2-Bromoacrylonitrile?
The molecular weight of 2-Bromoacrylonitrile is 130.94 g/mol.
Where can I buy 2-Bromoacrylonitrile?
You can request a quote for 2-Bromoacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.