2-Bromo-3-(4-methylphenyl)propanenitrile
TL;DR: 2-Bromo-3-(4-methylphenyl)propanenitrile (CAS 62448-29-7) is a chemical compound with molecular formula C10H10BrN and molecular weight 223.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-(4-methylphenyl)propanenitrile
Also Known As: 2-bromo-3-(4-methylphenyl)propanenitrile, 2-Iodopropene, 2-Bromo-3-(p-tolyl)propanenitrile, 2-BROMO-3- PROPANENITRILE, 108-318-2
| Molecular Formula | C10H10BrN |
|---|---|
| Molecular Weight | 223.00 g/mol |
| LogP | 2.8246 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.99966 |
| Heavy Atoms | 12 |
| Complexity | 283.70206 |
Chemical Identifiers
| CAS Number | 62448-29-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(C#N)Br |
Product Overview
2-Bromo-3-(4-methylphenyl)propanenitrile (CAS 62448-29-7), with molecular formula C10H10BrN and molecular weight 223.00 g/mol. IUPAC: 2-bromo-3-(4-methylphenyl)propanenitrile.
Chemical Property Profile of 2-Bromo-3-(4-methylphenyl)propanenitrile
Property Insights of 2-Bromo-3-(4-methylphenyl)propanenitrile
The XLogP value of 2.8246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-(4-methylphenyl)propanenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Bromo-3-(4-methylphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-(4-methylphenyl)propanenitrile 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-Bromo-3-(4-methylphenyl)propanenitrile?
The CAS number of 2-Bromo-3-(4-methylphenyl)propanenitrile is 62448-29-7.
What is the molecular formula of 2-Bromo-3-(4-methylphenyl)propanenitrile?
The molecular formula of 2-Bromo-3-(4-methylphenyl)propanenitrile is C10H10BrN.
What is the molecular weight of 2-Bromo-3-(4-methylphenyl)propanenitrile?
The molecular weight of 2-Bromo-3-(4-methylphenyl)propanenitrile is 223.00 g/mol.
Where can I buy 2-Bromo-3-(4-methylphenyl)propanenitrile?
You can request a quote for 2-Bromo-3-(4-methylphenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-(4-methylphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-(4-methylphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.