![4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine structure](/static/products/5777/577790-99-9.webp)
4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine
TL;DR: 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine (CAS 577790-99-9) is a chemical compound with molecular formula C18H13N5O2S and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: 4-[(4-nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine, 4-((4-nitrobenzyl)thio)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-[(4-nitrobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C18H13N5O2S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 4.016 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.079 |
| Heavy Atoms | 26 |
| Complexity | 1064.0964 |
Chemical Identifiers
| CAS Number | 577790-99-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine (CAS 577790-99-9), with molecular formula C18H13N5O2S and molecular weight 363.08 g/mol. IUPAC: 4-[(4-nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine
Property Insights of 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine
The XLogP value of 4.016 indicates that 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[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 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[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 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine?
The CAS number of 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine is 577790-99-9.
What is the molecular formula of 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine is C18H13N5O2S.
What is the molecular weight of 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine is 363.08 g/mol.
Where can I buy 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[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-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Nitrophenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.