2-(4-Chlorophenyl)-3-oxopentanenitrile
TL;DR: 2-(4-Chlorophenyl)-3-oxopentanenitrile (CAS 56069-82-0) is a chemical compound with molecular formula C11H10ClNO and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-oxopentanenitrile
Also Known As: 2-(4-chlorophenyl)-3-oxopentanenitrile, Pyrimethamine Impurity 2, 2-(4-Chlorophenyl)-3-oxovaleronitrile, 2- -3-oxovaleronitrile, EINECS 259-656-3
| Molecular Formula | C11H10ClNO |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.92628 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.04509 |
| Heavy Atoms | 14 |
| Complexity | 363.86908 |
Chemical Identifiers
| CAS Number | 56069-82-0 |
|---|---|
| SMILES | CCC(=O)C(C#N)C1=CC=C(C=C1)Cl |
Product Overview
2-(4-Chlorophenyl)-3-oxopentanenitrile (CAS 56069-82-0), with molecular formula C11H10ClNO and molecular weight 207.05 g/mol. IUPAC: 2-(4-chlorophenyl)-3-oxopentanenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-oxopentanenitrile
Property Insights of 2-(4-Chlorophenyl)-3-oxopentanenitrile
The XLogP value of 2.92628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-3-oxopentanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(4-Chlorophenyl)-3-oxopentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-oxopentanenitrile 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-(4-Chlorophenyl)-3-oxopentanenitrile?
The CAS number of 2-(4-Chlorophenyl)-3-oxopentanenitrile is 56069-82-0.
What is the molecular formula of 2-(4-Chlorophenyl)-3-oxopentanenitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-oxopentanenitrile is C11H10ClNO.
What is the molecular weight of 2-(4-Chlorophenyl)-3-oxopentanenitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-oxopentanenitrile is 207.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-oxopentanenitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.