(e)-2-(Bromomethyl)-3-phenylacrylonitrile
TL;DR: (e)-2-(Bromomethyl)-3-phenylacrylonitrile (CAS 139413-81-3) is a chemical compound with molecular formula C10H8BrN and molecular weight 220.98401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(bromomethyl)-3-phenylprop-2-enenitrile
Also Known As: (E)-alpha-(Bromomethyl)cinnamonitrile, (e)-2-(bromomethyl)-3-phenylacrylonitrile, (E)-alpha-(Bromomethyl)benzeneacrylonitrile, 2-(bromomethyl)-3-phenylprop-2-enenitrile, (E)-2-(Bromomethyl)-3-phenylpropenenitrile
Technical Specifications
| Molecular Formula | C10H8BrN |
| Molecular Weight | 220.98401 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.98401 Da |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
| SMILES | C1=CC=C(C=C1)/C=C(/CBr)\C#N |
| InChIKey | JHLJCQSWEWQISP-POHAHGRESA-N |
Chemical Property Profile of (e)-2-(Bromomethyl)-3-phenylacrylonitrile
Property Insights of (e)-2-(Bromomethyl)-3-phenylacrylonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (e)-2-(Bromomethyl)-3-phenylacrylonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, (e)-2-(Bromomethyl)-3-phenylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (e)-2-(Bromomethyl)-3-phenylacrylonitrile 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
What is the CAS number of (e)-2-(Bromomethyl)-3-phenylacrylonitrile?
The CAS number of (e)-2-(Bromomethyl)-3-phenylacrylonitrile is 139413-81-3.
What is the molecular formula of (e)-2-(Bromomethyl)-3-phenylacrylonitrile?
The molecular formula of (e)-2-(Bromomethyl)-3-phenylacrylonitrile is C10H8BrN.
What is the molecular weight of (e)-2-(Bromomethyl)-3-phenylacrylonitrile?
The molecular weight of (e)-2-(Bromomethyl)-3-phenylacrylonitrile is 220.98401 g/mol.
Where can I buy (e)-2-(Bromomethyl)-3-phenylacrylonitrile?
You can request a quote for (e)-2-(Bromomethyl)-3-phenylacrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (e)-2-(Bromomethyl)-3-phenylacrylonitrile?
Yes, CoreyChem provides custom synthesis services for (e)-2-(Bromomethyl)-3-phenylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.