![1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/714/714254-67-8.png)
1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine (CAS 714254-67-8) is a chemical compound with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine
Also Known As: 1-benzyl-4-((4-nitrobenzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine, 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine, 1-benzyl-4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C19H15N5O2S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 4.0751 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.09464 |
| Heavy Atoms | 27 |
| Complexity | 1080.4192 |
Chemical Identifiers
| CAS Number | 714254-67-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine (CAS 714254-67-8), with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol. IUPAC: 1-benzyl-4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 4.0751 indicates that 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine has 0 hydrogen bond donor(s) and 6 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-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine is 714254-67-8.
What is the molecular formula of 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine is C19H15N5O2S.
What is the molecular weight of 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine is 377.09 g/mol.
Where can I buy 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-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 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-[(4-nitrobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.