1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea
TL;DR: 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea (CAS 104121-49-5) is a chemical compound with molecular formula C14H10ClN3OS and molecular weight 303.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
Also Known As: 1-(1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea, KST-1A9896, Urea,N-1,2-benzisothiazol-3-yl-N'-ethyl, Urea, 1-(1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)-, Urea,N-1,2-benzisothiazol-3-yl-N'-(3-chlorophenyl)-
| Molecular Formula | C14H10ClN3OS |
|---|---|
| Molecular Weight | 303.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.02332 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 104121-49-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2)NC(=O)NC3=CC(=CC=C3)Cl |
| InChIKey | JLWSMUNZNSRFPI-UHFFFAOYSA-N |
Product Overview
1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea (CAS 104121-49-5), with molecular formula C14H10ClN3OS and molecular weight 303.02 g/mol. IUPAC: 1-(1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea.
Chemical Property Profile of 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea
Property Insights of 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea
The XLogP value of 3.8 indicates that 1-(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-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea. Following Lipinski's Rule of Five, 1-(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-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
The CAS number of 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea is 104121-49-5.
What is the molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
The molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea is C14H10ClN3OS.
What is the molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
The molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea is 303.02 g/mol.
Where can I buy 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
You can request a quote for 1-(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-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2-Benzothiazol-3-yl)-3-(3-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.