(3-溴苯基)乙腈
TL;DR: (3-溴苯基)乙腈 (CAS 31938-07-5) 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.
(3-溴苯基)乙腈
2-(3-bromophenyl)acetonitrile
Also Known As: 3-Bromophenylacetonitrile, 3-Bromobenzyl cyanide, 2-(3-bromophenyl)acetonitrile, m-Bromobenzyl cyanide, (3-Bromophenyl)acetonitrile
| Molecular Formula | C8H6BrN |
|---|---|
| Molecular Weight | 194.97 g/mol |
| LogP | 2.6 |
| 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 | 147.0 |
Chemical Identifiers
| CAS Number | 31938-07-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)CC#N |
| InChIKey | UUZYFBXKWIQKTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-溴苯基)乙腈 (CAS 31938-07-5), with molecular formula C8H6BrN and molecular weight 194.97 g/mol. IUPAC: 2-(3-bromophenyl)acetonitrile.
Chemical Property Profile of (3-溴苯基)乙腈
Property Insights of (3-溴苯基)乙腈
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-溴苯基)乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, (3-溴苯基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-溴苯基)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 (3-溴苯基)乙腈?
The CAS number of (3-溴苯基)乙腈 is 31938-07-5.
What is the molecular formula of (3-溴苯基)乙腈?
The molecular formula of (3-溴苯基)乙腈 is C8H6BrN.
What is the molecular weight of (3-溴苯基)乙腈?
The molecular weight of (3-溴苯基)乙腈 is 194.97 g/mol.
Where can I buy (3-溴苯基)乙腈?
You can request a quote for (3-溴苯基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-溴苯基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for (3-溴苯基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.