2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile
TL;DR: 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile (CAS 93839-17-9) is a chemical compound with molecular formula C10H7ClFNO and molecular weight 211.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile
Also Known As: 2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile, acetyl acetonitrile, Acetyl(2-chloro-6-fluorophenyl)acetonitrile, EINECS 298-787-0, alpha-Acetyl-2-chloro-6-fluorobenzeneacetonitrile
| Molecular Formula | C10H7ClFNO |
|---|---|
| Molecular Weight | 211.02 g/mol |
| LogP | 2.67528 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.02002 |
| Heavy Atoms | 14 |
| Complexity | 390.8233 |
Chemical Identifiers
| CAS Number | 93839-17-9 |
|---|---|
| SMILES | CC(=O)C(C#N)C1=C(C=CC=C1Cl)F |
Product Overview
2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile (CAS 93839-17-9), with molecular formula C10H7ClFNO and molecular weight 211.02 g/mol. IUPAC: 2-(2-chloro-6-fluorophenyl)-3-oxobutanenitrile.
Chemical Property Profile of 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile
Property Insights of 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile
The XLogP value of 2.67528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile 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 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile?
The CAS number of 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile is 93839-17-9.
What is the molecular formula of 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile?
The molecular formula of 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile is C10H7ClFNO.
What is the molecular weight of 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile?
The molecular weight of 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile is 211.02 g/mol.
Where can I buy 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile?
You can request a quote for 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-6-fluorophenyl)-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.