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4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine
TL;DR: 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine (CAS 70011-69-7) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: 4-ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.9275 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 663.0678 |
Chemical Identifiers
| CAS Number | 70011-69-7 |
|---|---|
| SMILES | CCSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 |
Product Overview
4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine (CAS 70011-69-7), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 4-ethylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine
Property Insights of 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine
The XLogP value of 2.9275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine. With a topological polar surface area (TPSA) of 43.6 Ų, 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylsulfanyl-1-phenylpyrazolo[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-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The CAS number of 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine is 70011-69-7.
What is the molecular formula of 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine is C13H12N4S.
What is the molecular weight of 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine is 256.08 g/mol.
Where can I buy 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-Ethylsulfanyl-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-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.