1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea
TL;DR: 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea (CAS 26135-18-2) is a chemical compound with molecular formula C14H10FN3OS and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)urea
Also Known As: 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea, BAS 05289357, 1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)urea, 3-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)urea, N-benzothiazol-2-yl[(4-fluorophenyl)amino]carboxamide
| Molecular Formula | C14H10FN3OS |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.05286 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 26135-18-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC=C(C=C3)F |
| InChIKey | SCIADEFCNAYCJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea (CAS 26135-18-2), with molecular formula C14H10FN3OS and molecular weight 287.05 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)urea.
Chemical Property Profile of 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea
Property Insights of 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea
The XLogP value of 3.4 indicates that 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-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-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea. Following Lipinski's Rule of Five, 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-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
Frequently Asked Questions
What is the CAS number of 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea?
The CAS number of 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea is 26135-18-2.
What is the molecular formula of 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea?
The molecular formula of 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea is C14H10FN3OS.
What is the molecular weight of 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea?
The molecular weight of 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea is 287.05 g/mol.
Where can I buy 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea?
You can request a quote for 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiazol-2-yl-3-(4-fluoro-phenyl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.