1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea
TL;DR: 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea (CAS 26129-95-3) is a chemical compound with molecular formula C15H10F3N3OS and molecular weight 337.05 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-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, N-(1,3-benzothiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea, AI-204/31681013, 1-(2-BENZOTHIAZOLYL)-3-(3-TRIFLUOROMETHYLPHENYL)UREA, 3-benzothiazol-2-yl-1-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C15H10F3N3OS |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 4.9591 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.04968 |
| Heavy Atoms | 23 |
| Complexity | 827.29443 |
Chemical Identifiers
| CAS Number | 26129-95-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea (CAS 26129-95-3), with molecular formula C15H10F3N3OS and molecular weight 337.05 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea
Property Insights of 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea
The XLogP value of 4.9591 indicates that 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)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-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea?
The CAS number of 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea is 26129-95-3.
What is the molecular formula of 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea?
The molecular formula of 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea is C15H10F3N3OS.
What is the molecular weight of 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea?
The molecular weight of 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea is 337.05 g/mol.
Where can I buy 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea?
You can request a quote for 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Benzothiazolyl)-3-(3-trifluoromethylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.