1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea
TL;DR: 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea (CAS 389079-99-6) is a chemical compound with molecular formula C15H12ClN3O3S2 and molecular weight 381.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea
Also Known As: BAS 04806945, 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea, 1-(3-chlorophenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea, [(3-chlorophenyl)amino]-N-[6-(methylsulfonyl)benzothiazol-2-yl]carboxamide, 1-(3-chlorophenyl)-3-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea
| Molecular Formula | C15H12ClN3O3S2 |
|---|---|
| Molecular Weight | 381.00 g/mol |
| LogP | 3.9972 |
| Topological Polar Surface Area | 88.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.00085 |
| Heavy Atoms | 24 |
| Complexity | 1031.3752 |
Chemical Identifiers
| CAS Number | 389079-99-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea (CAS 389079-99-6), with molecular formula C15H12ClN3O3S2 and molecular weight 381.00 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea.
Chemical Property Profile of 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea
Property Insights of 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea
The XLogP value of 3.9972 indicates that 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea. Following Lipinski's Rule of Five, 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea has 2 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 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea?
The CAS number of 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea is 389079-99-6.
What is the molecular formula of 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea?
The molecular formula of 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea is C15H12ClN3O3S2.
What is the molecular weight of 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea?
The molecular weight of 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea is 381.00 g/mol.
Where can I buy 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea?
You can request a quote for 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-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-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.