4-溴肉桂腈
TL;DR: 4-溴肉桂腈 (CAS 27549-93-5) is a chemical compound with molecular formula C9H6BrN and molecular weight 206.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴肉桂腈
3-(4-bromophenyl)prop-2-enenitrile
Also Known As: 4-bromocinnamonitrile, TimTec1_001524, 2-Propenenitrile, 3-(4-bromophenyl)-, 3-(4-Bromophenyl)-2-propenenitrile, 3-(4-bromophenyl)prop-2-enenitrile
| Molecular Formula | C9H6BrN |
|---|---|
| Molecular Weight | 206.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.96835 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 27549-93-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC#N)Br |
| InChIKey | LSLREZDNFXMUJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-溴肉桂腈 (CAS 27549-93-5), with molecular formula C9H6BrN and molecular weight 206.97 g/mol. IUPAC: 3-(4-bromophenyl)prop-2-enenitrile.
Chemical Property Profile of 4-溴肉桂腈
Property Insights of 4-溴肉桂腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴肉桂腈. With a topological polar surface area (TPSA) of 23.8 Ų, 4-溴肉桂腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴肉桂腈 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-溴肉桂腈?
The CAS number of 4-溴肉桂腈 is 27549-93-5.
What is the molecular formula of 4-溴肉桂腈?
The molecular formula of 4-溴肉桂腈 is C9H6BrN.
What is the molecular weight of 4-溴肉桂腈?
The molecular weight of 4-溴肉桂腈 is 206.97 g/mol.
Where can I buy 4-溴肉桂腈?
You can request a quote for 4-溴肉桂腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴肉桂腈?
Yes, KEHONG BIO provides custom synthesis services for 4-溴肉桂腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.