4-溴苯乙腈
TL;DR: 4-溴苯乙腈 (CAS 16532-79-9) is a chemical compound with molecular formula C8H6BrN and molecular weight 194.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴苯乙腈
2-(4-bromophenyl)acetonitrile
Also Known As: 4-Bromophenylacetonitrile, 4-Bromobenzyl cyanide, 2-(4-Bromophenyl)acetonitrile, 4-Bromobenzylcyanide, p-Bromobenzyl cyanide
| Molecular Formula | C8H6BrN |
|---|---|
| Molecular Weight | 194.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.96835 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 16532-79-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)Br |
| InChIKey | MFHFWRBXPQDZSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-溴苯乙腈 (CAS 16532-79-9), with molecular formula C8H6BrN and molecular weight 194.97 g/mol. IUPAC: 2-(4-bromophenyl)acetonitrile.
Chemical Property Profile of 4-溴苯乙腈
Property Insights of 4-溴苯乙腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴苯乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 4-溴苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴苯乙腈 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 4-溴苯乙腈?
The CAS number of 4-溴苯乙腈 is 16532-79-9.
What is the molecular formula of 4-溴苯乙腈?
The molecular formula of 4-溴苯乙腈 is C8H6BrN.
What is the molecular weight of 4-溴苯乙腈?
The molecular weight of 4-溴苯乙腈 is 194.97 g/mol.
Where can I buy 4-溴苯乙腈?
You can request a quote for 4-溴苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-溴苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.