M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea
TL;DR: M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea (CAS 69504-51-4) 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-(5-chloro-1,2-benzothiazol-3-yl)-3-phenylurea
Also Known As: M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea, 1-(5-chloro-1,2-benzothiazol-3-yl)-3-phenylurea, Urea, N-(5-chloro-1,2-benzisothiazol-3-yl)-N'-phenyl-, N-(5-Chloro-1,2-benzothiazol-3(2H)-ylidene)-N'-phenylcarbamimidic acid
| 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 | 351.0 |
Chemical Identifiers
| CAS Number | 69504-51-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=NSC3=C2C=C(C=C3)Cl |
| InChIKey | REWGPMGNDVQXAL-UHFFFAOYSA-N |
Product Overview
M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea (CAS 69504-51-4), with molecular formula C14H10ClN3OS and molecular weight 303.02 g/mol. IUPAC: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-phenylurea.
Chemical Property Profile of M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea
Property Insights of M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea
The XLogP value of 3.8 indicates that M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea 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 M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea. Following Lipinski's Rule of Five, M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea 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 M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea?
The CAS number of M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea is 69504-51-4.
What is the molecular formula of M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea?
The molecular formula of M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea is C14H10ClN3OS.
What is the molecular weight of M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea?
The molecular weight of M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea is 303.02 g/mol.
Where can I buy M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea?
You can request a quote for M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.