![4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/877/877795-79-4.png)
4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 877795-79-4) is a chemical compound with molecular formula C18H13ClN4S and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine
Also Known As: 4-benzylsulfanyl-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine, 4-(benzylthio)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine, 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine, 2-benzylsulfanyl-7-(4-chlorophenyl)-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraene
| Molecular Formula | C18H13ClN4S |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 4.7612 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.05493 |
| Heavy Atoms | 24 |
| Complexity | 967.4145 |
Chemical Identifiers
| CAS Number | 877795-79-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 877795-79-4), with molecular formula C18H13ClN4S and molecular weight 352.05 g/mol. IUPAC: 4-benzylsulfanyl-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.7612 indicates that 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine has 0 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 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine is 877795-79-4.
What is the molecular formula of 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine is C18H13ClN4S.
What is the molecular weight of 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine is 352.05 g/mol.
Where can I buy 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzylsulfanyl)-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.