4-Chlorobenzoyl cyanide
TL;DR: 4-Chlorobenzoyl cyanide (CAS 13014-48-7) is a chemical compound with molecular formula C8H4ClNO and molecular weight 165.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzoyl cyanide
Also Known As: 4-chlorobenzoyl cyanide, (4-CHLORO-PHENYL)-OXO-ACETONITRILE, 4-chlorobenzoylcyanide, p-chlorobenzoylcyanide, p-chlorobenzoyl cyanide
| Molecular Formula | C8H4ClNO |
|---|---|
| Molecular Weight | 165.00 g/mol |
| LogP | 2.04628 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.99814 |
| Heavy Atoms | 11 |
| Complexity | 309.8591 |
Chemical Identifiers
| CAS Number | 13014-48-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C#N)Cl |
Product Overview
4-Chlorobenzoyl cyanide (CAS 13014-48-7), with molecular formula C8H4ClNO and molecular weight 165.00 g/mol. IUPAC: 4-chlorobenzoyl cyanide.
Chemical Property Profile of 4-Chlorobenzoyl cyanide
Property Insights of 4-Chlorobenzoyl cyanide
The XLogP value of 2.04628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzoyl cyanide. With a topological polar surface area (TPSA) of 40.86 Ų, 4-Chlorobenzoyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzoyl cyanide has 0 hydrogen bond donor(s) and 2 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-Chlorobenzoyl cyanide?
The CAS number of 4-Chlorobenzoyl cyanide is 13014-48-7.
What is the molecular formula of 4-Chlorobenzoyl cyanide?
The molecular formula of 4-Chlorobenzoyl cyanide is C8H4ClNO.
What is the molecular weight of 4-Chlorobenzoyl cyanide?
The molecular weight of 4-Chlorobenzoyl cyanide is 165.00 g/mol.
Where can I buy 4-Chlorobenzoyl cyanide?
You can request a quote for 4-Chlorobenzoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.