![1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine structure](/static/products/872/872861-85-3.png)
1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine
TL;DR: 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine (CAS 872861-85-3) is a chemical compound with molecular formula C17H12ClN5S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine
Also Known As: F1874-0858, 3-({[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}methyl)pyridine, 1-(3-chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine, 1-(3-chlorophenyl)-4-((pyridin-3-ylmethyl)thio)-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C17H12ClN5S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 4.1562 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0502 |
| Heavy Atoms | 24 |
| Complexity | 986.62665 |
Chemical Identifiers
| CAS Number | 872861-85-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=NC=N3)SCC4=CN=CC=C4 |
Product Overview
1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine (CAS 872861-85-3), with molecular formula C17H12ClN5S and molecular weight 353.05 g/mol. IUPAC: 1-(3-chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine
Property Insights of 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.1562 indicates that 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)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 56.49 Ų, 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]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 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine is 872861-85-3.
What is the molecular formula of 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine is C17H12ClN5S.
What is the molecular weight of 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine is 353.05 g/mol.
Where can I buy 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)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 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-4-(pyridin-3-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.