![N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide structure](/static/products/848/848932-73-0.png)
N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide (CAS 848932-73-0) is a chemical compound with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide, N-(1,3-benzodioxol-5-yl)-2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C21H17N5O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 3.3341 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.10522 |
| Heavy Atoms | 30 |
| Complexity | 1211.9789 |
Chemical Identifiers
| CAS Number | 848932-73-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=NN4CC5=CC=CC=C5 |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide (CAS 848932-73-0), with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
The XLogP value of 3.3341 indicates that N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide has 1 hydrogen bond donor(s) and 7 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 N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide is 848932-73-0.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide is C21H17N5O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide is 419.11 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.