3-Bromo-2-methylacrylonitrile
TL;DR: 3-Bromo-2-methylacrylonitrile (CAS 28976-77-4) is a chemical compound with molecular formula C4H4BrN and molecular weight 144.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-bromo-2-methylprop-2-enenitrile
Also Known As: 3-BROMO-2-METHYLACRYLONITRILE, 2-Cyclohexylcyclohexanol, 3-BROMOMETHACRYLONITRILE, 2-Propenenitrile, 3-bromo-2-methyl-, (E)-3-Bromo-2-methylacrylonitrile
| Molecular Formula | C4H4BrN |
|---|---|
| Molecular Weight | 144.95 g/mol |
| LogP | 1.80868 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.95271 |
| Heavy Atoms | 6 |
| Complexity | 98.605934 |
Chemical Identifiers
| CAS Number | 28976-77-4 |
|---|---|
| SMILES | C/C(=C\Br)/C#N |
Product Overview
3-Bromo-2-methylacrylonitrile (CAS 28976-77-4), with molecular formula C4H4BrN and molecular weight 144.95 g/mol. IUPAC: (E)-3-bromo-2-methylprop-2-enenitrile.
Chemical Property Profile of 3-Bromo-2-methylacrylonitrile
Property Insights of 3-Bromo-2-methylacrylonitrile
The XLogP value of 1.80868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-methylacrylonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Bromo-2-methylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methylacrylonitrile 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 3-Bromo-2-methylacrylonitrile?
The CAS number of 3-Bromo-2-methylacrylonitrile is 28976-77-4.
What is the molecular formula of 3-Bromo-2-methylacrylonitrile?
The molecular formula of 3-Bromo-2-methylacrylonitrile is C4H4BrN.
What is the molecular weight of 3-Bromo-2-methylacrylonitrile?
The molecular weight of 3-Bromo-2-methylacrylonitrile is 144.95 g/mol.
Where can I buy 3-Bromo-2-methylacrylonitrile?
You can request a quote for 3-Bromo-2-methylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-methylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-methylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.