1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol
TL;DR: 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol (CAS 133506-52-2) is a chemical compound with molecular formula C17H16F3N5OS and molecular weight 395.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-phenyltetrazol-5-yl)sulfanyl-3-[3-(trifluoromethyl)anilino]propan-2-ol
Also Known As: 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol, 2-Propanol, 1-((1-phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-, 1-(1-phenyltetrazol-5-yl)sulfanyl-3-[3-(trifluoromethyl)anilino]propan-2-ol, 1-[(1-Phenyl-1H-tetrazol-5-yl)sulfanyl]-3-[3-(trifluoromethyl)anilino]propan-2-ol, Benzoic acid,2-(acetyloxy)-,2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl ester
| Molecular Formula | C17H16F3N5OS |
|---|---|
| Molecular Weight | 395.10 g/mol |
| LogP | 3.2462 |
| Topological Polar Surface Area | 75.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.10275 |
| Heavy Atoms | 27 |
| Complexity | 872.2604 |
Chemical Identifiers
| CAS Number | 133506-52-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(CNC3=CC=CC(=C3)C(F)(F)F)O |
Product Overview
1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol (CAS 133506-52-2), with molecular formula C17H16F3N5OS and molecular weight 395.10 g/mol. IUPAC: 1-(1-phenyltetrazol-5-yl)sulfanyl-3-[3-(trifluoromethyl)anilino]propan-2-ol.
Chemical Property Profile of 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol
Property Insights of 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol
The XLogP value of 3.2462 indicates that 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol. Following Lipinski's Rule of Five, 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol has 2 hydrogen bond donor(s) and 6 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-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol?
The CAS number of 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol is 133506-52-2.
What is the molecular formula of 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol?
The molecular formula of 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol is C17H16F3N5OS.
What is the molecular weight of 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol?
The molecular weight of 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol is 395.10 g/mol.
Where can I buy 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol?
You can request a quote for 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.