![7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/844/844662-75-5.png)
7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 844662-75-5) is a chemical compound with molecular formula C16H15ClN6S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-chlorophenyl)-5-(2-methylpropylsulfanyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 7-(4-chlorophenyl)-3-[(2-methylpropyl)sulfanyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C16H15ClN6S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.8647 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07675 |
| Heavy Atoms | 24 |
| Complexity | 1004.6885 |
Chemical Identifiers
| CAS Number | 844662-75-5 |
|---|---|
| SMILES | CC(C)CSC1=NN=C2N1C=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 844662-75-5), with molecular formula C16H15ClN6S and molecular weight 358.08 g/mol. IUPAC: 10-(4-chlorophenyl)-5-(2-methylpropylsulfanyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 3.8647 indicates that 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine. Following Lipinski's Rule of Five, 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 5 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-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine is 844662-75-5.
What is the molecular formula of 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine is C16H15ClN6S.
What is the molecular weight of 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine is 358.08 g/mol.
Where can I buy 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-chlorophenyl)-3-(isobutylthio)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.