1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
TL;DR: 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea (CAS 115932-56-4) is a chemical compound with molecular formula C15H12ClN3O2S and molecular weight 333.03387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
Also Known As: KST-1A9963, 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea, Urea,N-(5-chloro-1,2-benzisothiazol-3-yl)-N'-(3-methoxyphenyl)-, N-(5-Chloro-1,2-benzothiazol-3-yl)-N'-(3-methoxyphenyl)urea, tert-Butyl 4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
Technical Specifications
| Molecular Formula | C15H12ClN3O2S |
| Molecular Weight | 333.03387 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.03387 Da |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
| SMILES | COC1=CC=CC(=C1)NC(=O)NC2=NSC3=C2C=C(C=C3)Cl |
| InChIKey | VVOGTBZWHBZPPS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
Property Insights of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
The XLogP value of 3.8 indicates that 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
The CAS number of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea is 115932-56-4.
What is the molecular formula of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
The molecular formula of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea is C15H12ClN3O2S.
What is the molecular weight of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
The molecular weight of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea is 333.03387 g/mol.
Where can I buy 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
You can request a quote for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
Yes, CoreyChem provides custom synthesis services for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.