1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea
TL;DR: 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea (CAS 115885-67-1) is a chemical compound with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea
Also Known As: KST-1A9952, 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea, Urea,N-(4-chlorophenyl)-N'-(5-methyl-1,2-benzisothiazol-3-yl)-, N-(4-Chlorophenyl)-N'-(6-methyl-1,2-benzothiazol-3-yl)urea, tert-Butyl 4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
| Molecular Formula | C15H12ClN3OS |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.03897 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 115885-67-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=NS2)NC(=O)NC3=CC=C(C=C3)Cl |
| InChIKey | RRPUIFWCHBVHAM-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea (CAS 115885-67-1), with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea
Property Insights of 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea
The XLogP value of 4.2 indicates that 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)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-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)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-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea?
The CAS number of 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea is 115885-67-1.
What is the molecular formula of 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea?
The molecular formula of 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea is C15H12ClN3OS.
What is the molecular weight of 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea?
The molecular weight of 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea is 317.04 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea?
You can request a quote for 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-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-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-(6-methyl-1,2-benzothiazol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.