![1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine structure](/static/products/872/872856-65-0.png)
1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine
TL;DR: 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine (CAS 872856-65-0) is a chemical compound with molecular formula C14H10N4S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4-prop-2-ynylsulfanylpyrazolo[5,4-d]pyrimidine
Also Known As: 1-phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine, 1-phenyl-4-(prop-2-yn-1-ylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine, F1874-0010, 1-phenyl-4-(prop-2-yn-1-ylthio)-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C14H10N4S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 2.5408 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.06262 |
| Heavy Atoms | 19 |
| Complexity | 742.977 |
Chemical Identifiers
| CAS Number | 872856-65-0 |
|---|---|
| SMILES | C#CCSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 |
Product Overview
1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine (CAS 872856-65-0), with molecular formula C14H10N4S and molecular weight 266.06 g/mol. IUPAC: 1-phenyl-4-prop-2-ynylsulfanylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine
Property Insights of 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine
The XLogP value of 2.5408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine. With a topological polar surface area (TPSA) of 43.6 Ų, 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[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 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine?
The CAS number of 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine is 872856-65-0.
What is the molecular formula of 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine is C14H10N4S.
What is the molecular weight of 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine is 266.06 g/mol.
Where can I buy 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[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-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-4-prop-2-ynylsulfanylpyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.