1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea
TL;DR: 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea (CAS 115906-47-3) is a chemical compound with molecular formula C10H10ClN3OS and molecular weight 255.02 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-ethylurea
Also Known As: 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea, KST-1A9959, 2-methyl-2-benzyl-1,3-benzodioxole, Urea,N-(5-chloro-1,2-benzisothiazol-3-yl)-N'-ethyl-, N-(5-Chloro-1,2-benzothiazol-3-yl)-N'-ethylurea
| Molecular Formula | C10H10ClN3OS |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02332 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 115906-47-3 |
|---|---|
| SMILES | CCNC(=O)NC1=NSC2=C1C=C(C=C2)Cl |
| InChIKey | JPQSRIONPWCFTM-UHFFFAOYSA-N |
Product Overview
1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea (CAS 115906-47-3), with molecular formula C10H10ClN3OS and molecular weight 255.02 g/mol. IUPAC: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-ethylurea.
Chemical Property Profile of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea
Property Insights of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea. 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-ethylurea. Following Lipinski's Rule of Five, 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea 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-ethylurea?
The CAS number of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea is 115906-47-3.
What is the molecular formula of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea?
The molecular formula of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea is C10H10ClN3OS.
What is the molecular weight of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea?
The molecular weight of 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea is 255.02 g/mol.
Where can I buy 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea?
You can request a quote for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea 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-ethylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-ethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.