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Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
TL;DR: Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate (CAS 483984-44-7) is a chemical compound with molecular formula C20H16N4O2S and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
Also Known As: BAS 03270578, benzyl 2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetate, benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate, F1874-0114, benzyl 2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetate
| Molecular Formula | C20H16N4O2S |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | 3.651 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.0994 |
| Heavy Atoms | 27 |
| Complexity | 1051.4803 |
Chemical Identifiers
| CAS Number | 483984-44-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 |
Product Overview
Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate (CAS 483984-44-7), with molecular formula C20H16N4O2S and molecular weight 376.10 g/mol. IUPAC: benzyl 2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
Property Insights of Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
The XLogP value of 3.651 indicates that Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
The CAS number of Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate is 483984-44-7.
What is the molecular formula of Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
The molecular formula of Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate is C20H16N4O2S.
What is the molecular weight of Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
The molecular weight of Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate is 376.10 g/mol.
Where can I buy Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
You can request a quote for Benzyl 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 Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.