1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
TL;DR: 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea (CAS 116145-99-4) is a chemical compound with molecular formula C14H9Cl2N3OS and molecular weight 336.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
Also Known As: KST-1A9973, 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea, Urea,N-(5-chloro-1,2-benzisothiazol-3-yl)-N'-(3-chlorophenyl)-, N-(5-Chloro-1,2-benzothiazol-3-yl)-N'-(3-chlorophenyl)urea, 6-chloro-4-N-pentan-3-yl-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C14H9Cl2N3OS |
|---|---|
| Molecular Weight | 336.98 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.98434 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 116145-99-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)NC2=NSC3=C2C=C(C=C3)Cl |
| InChIKey | DHFQYLONKUOXLT-UHFFFAOYSA-N |
Product Overview
1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea (CAS 116145-99-4), with molecular formula C14H9Cl2N3OS and molecular weight 336.98 g/mol. IUPAC: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea.
Chemical Property Profile of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
Property Insights of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
The XLogP value of 4.5 indicates that 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea. Following Lipinski's Rule of Five, 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea has 2 hydrogen bond donor(s) and 3 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-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
The CAS number of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea is 116145-99-4.
What is the molecular formula of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
The molecular formula of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea is C14H9Cl2N3OS.
What is the molecular weight of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
The molecular weight of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea is 336.98 g/mol.
Where can I buy 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
You can request a quote for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.