4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile
TL;DR: 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile (CAS 885461-38-1) is a chemical compound with molecular formula C11H7ClN2OS2 and molecular weight 281.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-oxo-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanenitrile
Also Known As: 4-chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile, 4-CHLORO-3-OXO-2-[4-(THIOPHEN-2-YL)-1,3-THIAZOL-2-YL]BUTANENITRILE, alpha-(2-Chloroacetyl)-4-(2-thienyl)-2-thiazoleacetonitrile, I+/--(2-Chloroacetyl)-4-(2-thienyl)-2-thiazoleacetonitrile, 4-Chloro-3-oxo-2-(4-(thiophen-2-yl)thiazol-2-yl)butanenitrile
| Molecular Formula | C11H7ClN2OS2 |
|---|---|
| Molecular Weight | 281.97 g/mol |
| LogP | 3.28668 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.96884 |
| Heavy Atoms | 17 |
| Complexity | 556.28845 |
Chemical Identifiers
| CAS Number | 885461-38-1 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CSC(=N2)C(C#N)C(=O)CCl |
Product Overview
4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile (CAS 885461-38-1), with molecular formula C11H7ClN2OS2 and molecular weight 281.97 g/mol. IUPAC: 4-chloro-3-oxo-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanenitrile.
Chemical Property Profile of 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile
Property Insights of 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile
The XLogP value of 3.28668 indicates that 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile has 0 hydrogen bond donor(s) and 5 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-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile?
The CAS number of 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile is 885461-38-1.
What is the molecular formula of 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile?
The molecular formula of 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile is C11H7ClN2OS2.
What is the molecular weight of 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile?
The molecular weight of 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile is 281.97 g/mol.
Where can I buy 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile?
You can request a quote for 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-oxo-2-(4-thien-2-yl-1,3-thiazol-2-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.