(2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
TL;DR: (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile (CAS 5253-02-1) 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.
(2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
Also Known As: KST-1A0108, (2s)-2-(4-chlorophenyl)-3-oxobutanenitrile
| Molecular Formula | C10H8ClNO |
|---|---|
| Molecular Weight | 193.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.02943 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 5253-02-1 |
|---|---|
| SMILES | CC(=O)[C@H](C#N)C1=CC=C(C=C1)Cl |
| InChIKey | IPBZEJZUAZXNOS-JTQLQIEISA-N |
Product Overview
(2S)-2-(4-chlorophenyl)-3-oxobutanenitrile (CAS 5253-02-1), with molecular formula C10H8ClNO and molecular weight 193.03 g/mol. IUPAC: (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile.
Chemical Property Profile of (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
Property Insights of (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile. With a topological polar surface area (TPSA) of 40.9 Ų, (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-(4-chlorophenyl)-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 (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile?
The CAS number of (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile is 5253-02-1.
What is the molecular formula of (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile?
The molecular formula of (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile is C10H8ClNO.
What is the molecular weight of (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile?
The molecular weight of (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile is 193.03 g/mol.
Where can I buy (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile?
You can request a quote for (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.