3-(1-Cyanoethyl)benzoyl chloride
TL;DR: 3-(1-Cyanoethyl)benzoyl chloride (CAS 42872-29-7) is a chemical compound with molecular formula C10H8ClNO and molecular weight 193.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-cyanoethyl)benzoyl chloride
Also Known As: 3-(1-Cyanoethyl)benzoyl chloride, Ketoprofen Impurity 21, Ketoprofen Impurity 22, Ketoprofen Impurity 42, EINECS 255-980-4
| Molecular Formula | C10H8ClNO |
|---|---|
| Molecular Weight | 193.03 g/mol |
| LogP | 2.69268 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.02943 |
| Heavy Atoms | 13 |
| Complexity | 367.43265 |
Chemical Identifiers
| CAS Number | 42872-29-7 |
|---|---|
| SMILES | CC(C#N)C1=CC(=CC=C1)C(=O)Cl |
Product Overview
3-(1-Cyanoethyl)benzoyl chloride (CAS 42872-29-7), with molecular formula C10H8ClNO and molecular weight 193.03 g/mol. IUPAC: 3-(1-cyanoethyl)benzoyl chloride.
Chemical Property Profile of 3-(1-Cyanoethyl)benzoyl chloride
Property Insights of 3-(1-Cyanoethyl)benzoyl chloride
The XLogP value of 2.69268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Cyanoethyl)benzoyl chloride. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(1-Cyanoethyl)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Cyanoethyl)benzoyl 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 3-(1-Cyanoethyl)benzoyl chloride?
The CAS number of 3-(1-Cyanoethyl)benzoyl chloride is 42872-29-7.
What is the molecular formula of 3-(1-Cyanoethyl)benzoyl chloride?
The molecular formula of 3-(1-Cyanoethyl)benzoyl chloride is C10H8ClNO.
What is the molecular weight of 3-(1-Cyanoethyl)benzoyl chloride?
The molecular weight of 3-(1-Cyanoethyl)benzoyl chloride is 193.03 g/mol.
Where can I buy 3-(1-Cyanoethyl)benzoyl chloride?
You can request a quote for 3-(1-Cyanoethyl)benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Cyanoethyl)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Cyanoethyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.