![2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol structure](/static/products/898/898652-97-6.png)
2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol
TL;DR: 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol (CAS 898652-97-6) is a chemical compound with molecular formula C13H9F3N6OS and molecular weight 354.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol, 2-(((1-(3-(trifluoromethyl)phenyl)-1H-tetrazol-5-yl)methyl)thio)pyrimidin-4-ol, 2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one
| Molecular Formula | C13H9F3N6OS |
|---|---|
| Molecular Weight | 354.05 g/mol |
| LogP | 2.0567 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.05106 |
| Heavy Atoms | 24 |
| Complexity | 906.71783 |
Chemical Identifiers
| CAS Number | 898652-97-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=N2)CSC3=NC=CC(=O)N3)C(F)(F)F |
Product Overview
2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol (CAS 898652-97-6), with molecular formula C13H9F3N6OS and molecular weight 354.05 g/mol. IUPAC: 2-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol
Property Insights of 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol
The XLogP value of 2.0567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol. Following Lipinski's Rule of Five, 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol has 1 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 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol?
The CAS number of 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol is 898652-97-6.
What is the molecular formula of 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol?
The molecular formula of 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol is C13H9F3N6OS.
What is the molecular weight of 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol?
The molecular weight of 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol is 354.05 g/mol.
Where can I buy 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol?
You can request a quote for 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-[({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)sulfanyl]pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.