![3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol structure](/static/products/846/846589-36-4.png)
3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol
TL;DR: 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol (CAS 846589-36-4) is a chemical compound with molecular formula C12H7FN6S and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-fluorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione
Also Known As: 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol, 7-(4-fluorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol, 7-(4-fluorophenyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thione
| Molecular Formula | C12H7FN6S |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 2.26489 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.0437 |
| Heavy Atoms | 20 |
| Complexity | 980.6955 |
Chemical Identifiers
| CAS Number | 846589-36-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C=N2)C4=NNC(=S)N4C=N3)F |
Product Overview
3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol (CAS 846589-36-4), with molecular formula C12H7FN6S and molecular weight 286.04 g/mol. IUPAC: 10-(4-fluorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione.
Chemical Property Profile of 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol
Property Insights of 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol
The XLogP value of 2.26489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol has 1 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 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol?
The CAS number of 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol is 846589-36-4.
What is the molecular formula of 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol?
The molecular formula of 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol is C12H7FN6S.
What is the molecular weight of 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol?
The molecular weight of 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol is 286.04 g/mol.
Where can I buy 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol?
You can request a quote for 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[4,3-e]pyrimidine-7-thi ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.