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Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
TL;DR: Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate (CAS 335223-40-0) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
Also Known As: BAS 02833067, F1874-0107, methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate, methyl 2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetate, methyl 2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetate
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.0806 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 772.9999 |
Chemical Identifiers
| CAS Number | 335223-40-0 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 |
Product Overview
Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate (CAS 335223-40-0), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: methyl 2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
Property Insights of Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
The XLogP value of 2.0806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate. Following Lipinski's Rule of Five, Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate 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 Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
The CAS number of Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate is 335223-40-0.
What is the molecular formula of Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
The molecular formula of Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate is C14H12N4O2S.
What is the molecular weight of Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
The molecular weight of Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate is 300.07 g/mol.
Where can I buy Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
You can request a quote for Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.