![propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate structure](/static/products/877/877778-89-7.png)
propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate
TL;DR: propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate (CAS 877778-89-7) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
Also Known As: isopropyl 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetate, propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate, propan-2-yl 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 877778-89-7 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3 |
| InChIKey | FKHQYZGGSQNOKA-UHFFFAOYSA-N |
Product Overview
propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate (CAS 877778-89-7), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: propan-2-yl 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate
Property Insights of propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate
The XLogP value of 3.3 indicates that propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate 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 propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate?
The CAS number of propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate is 877778-89-7.
What is the molecular formula of propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate?
The molecular formula of propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate is C17H18N4O2S.
What is the molecular weight of propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate?
The molecular weight of propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate is 342.12 g/mol.
Where can I buy propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate?
You can request a quote for propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl [(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.