1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea
TL;DR: 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea (CAS 866154-06-5) is a chemical compound with molecular formula C11H7ClN4O3S2 and molecular weight 341.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea
Also Known As: 1-(benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea, 3-chloro-4-cyano-5-({[(phenylsulfonyl)amino]carbonyl}amino)isothiazole
| Molecular Formula | C11H7ClN4O3S2 |
|---|---|
| Molecular Weight | 341.96 g/mol |
| LogP | 2.17858 |
| Topological Polar Surface Area | 111.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.9648 |
| Heavy Atoms | 21 |
| Complexity | 811.739 |
Chemical Identifiers
| CAS Number | 866154-06-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NS2)Cl)C#N |
Product Overview
1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea (CAS 866154-06-5), with molecular formula C11H7ClN4O3S2 and molecular weight 341.96 g/mol. IUPAC: 1-(benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea.
Chemical Property Profile of 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea
Property Insights of 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea
The XLogP value of 2.17858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea. The TPSA of 111.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea has 2 hydrogen bond donor(s) and 6 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 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea?
The CAS number of 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea is 866154-06-5.
What is the molecular formula of 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea?
The molecular formula of 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea is C11H7ClN4O3S2.
What is the molecular weight of 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea?
The molecular weight of 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea is 341.96 g/mol.
Where can I buy 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea?
You can request a quote for 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)-3-(3-chloro-4-cyano-1,2-thiazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.