![7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol structure](/static/products/844/844648-72-2.png)
7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol
TL;DR: 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol (CAS 844648-72-2) is a chemical compound with molecular formula C12H7ClN6S and molecular weight 302.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-chlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione
Also Known As: 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol, 7-(3-chlorophenyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thione
| Molecular Formula | C12H7ClN6S |
|---|---|
| Molecular Weight | 302.01 g/mol |
| LogP | 2.77919 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.01413 |
| Heavy Atoms | 20 |
| Complexity | 997.9455 |
Chemical Identifiers
| CAS Number | 844648-72-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C4=NNC(=S)N4C=N3 |
Product Overview
7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol (CAS 844648-72-2), with molecular formula C12H7ClN6S and molecular weight 302.01 g/mol. IUPAC: 10-(3-chlorophenyl)-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 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol
Property Insights of 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol
The XLogP value of 2.77919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol. Following Lipinski's Rule of Five, 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol 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 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol?
The CAS number of 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol is 844648-72-2.
What is the molecular formula of 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol?
The molecular formula of 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol is C12H7ClN6S.
What is the molecular weight of 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol?
The molecular weight of 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol is 302.01 g/mol.
Where can I buy 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol?
You can request a quote for 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.