Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-
TL;DR: Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- (CAS 69504-36-5) is a chemical compound with molecular formula C14H11N3OS and molecular weight 269.06 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-phenylurea
Also Known As: 3-phenyl-1- urea, Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-, 1-(1,2-benzothiazol-3-yl)-3-phenylurea, Urea,N-1,2-benzisothiazol-3-yl-N'-phenyl-, N-1,2-Benzothiazol-3(2H)-ylidene-N'-phenylcarbamimidic acid
| Molecular Formula | C14H11N3OS |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0623 |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 69504-36-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=NSC3=CC=CC=C32 |
| InChIKey | CQJMBFUKIYSERD-UHFFFAOYSA-N |
Product Overview
Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- (CAS 69504-36-5), with molecular formula C14H11N3OS and molecular weight 269.06 g/mol. IUPAC: 1-(1,2-benzothiazol-3-yl)-3-phenylurea.
Chemical Property Profile of Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-
Property Insights of Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-
The XLogP value of 3.2 indicates that Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- 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 Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-. Following Lipinski's Rule of Five, Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- 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 Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-?
The CAS number of Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- is 69504-36-5.
What is the molecular formula of Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-?
The molecular formula of Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- is C14H11N3OS.
What is the molecular weight of Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-?
The molecular weight of Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- is 269.06 g/mol.
Where can I buy Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-?
You can request a quote for Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-1,2-benzisothiazol-3-yl-N'-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.