4-Cyanobenzoyl chloride
TL;DR: 4-Cyanobenzoyl chloride (CAS 6068-72-0) 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-cyanobenzoyl chloride
Also Known As: 4-Cyanobenzoyl chloride, 4-Cyanobenzoylchloride, 4-Cyano-benzoyl chloride, p-CYANOBENZOYL CHLORIDE, Benzoyl chloride, 4-cyano-
| Molecular Formula | C8H4ClNO |
|---|---|
| Molecular Weight | 165.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.99814 |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 6068-72-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)Cl |
| InChIKey | USEDMAWWQDFMFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyanobenzoyl chloride (CAS 6068-72-0), with molecular formula C8H4ClNO and molecular weight 165.00 g/mol. IUPAC: 4-cyanobenzoyl chloride.
Chemical Property Profile of 4-Cyanobenzoyl chloride
Property Insights of 4-Cyanobenzoyl chloride
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanobenzoyl chloride. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Cyanobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobenzoyl chloride 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-Cyanobenzoyl chloride?
The CAS number of 4-Cyanobenzoyl chloride is 6068-72-0.
What is the molecular formula of 4-Cyanobenzoyl chloride?
The molecular formula of 4-Cyanobenzoyl chloride is C8H4ClNO.
What is the molecular weight of 4-Cyanobenzoyl chloride?
The molecular weight of 4-Cyanobenzoyl chloride is 165.00 g/mol.
Where can I buy 4-Cyanobenzoyl chloride?
You can request a quote for 4-Cyanobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.