4-溴苯甲腈
TL;DR: 4-溴苯甲腈 (CAS 623-00-7) is a chemical compound with molecular formula C7H4BrN and molecular weight 180.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴苯甲腈
4-bromobenzonitrile
Also Known As: 4-BROMOBENZONITRILE, p-Bromobenzonitrile, Benzonitrile, 4-bromo-, Benzonitrile, p-bromo-, 1-Bromo-4-cyanobenzene
| Molecular Formula | C7H4BrN |
|---|---|
| Molecular Weight | 180.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.95271 |
| Heavy Atoms | 9 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 623-00-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)Br |
| InChIKey | HQSCPPCMBMFJJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-溴苯甲腈 (CAS 623-00-7), with molecular formula C7H4BrN and molecular weight 180.95 g/mol. IUPAC: 4-bromobenzonitrile.
Chemical Property Profile of 4-溴苯甲腈
Property Insights of 4-溴苯甲腈
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴苯甲腈. With a topological polar surface area (TPSA) of 23.8 Ų, 4-溴苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴苯甲腈 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-溴苯甲腈?
The CAS number of 4-溴苯甲腈 is 623-00-7.
What is the molecular formula of 4-溴苯甲腈?
The molecular formula of 4-溴苯甲腈 is C7H4BrN.
What is the molecular weight of 4-溴苯甲腈?
The molecular weight of 4-溴苯甲腈 is 180.95 g/mol.
Where can I buy 4-溴苯甲腈?
You can request a quote for 4-溴苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-溴苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.