![2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide structure](/static/products/848/848920-68-3.png)
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
TL;DR: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 848920-68-3) is a chemical compound with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
| Molecular Formula | C22H19N5O3S |
|---|---|
| Molecular Weight | 433.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.12085 |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 848920-68-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4CC5=CC=CC=C5 |
| InChIKey | YZWVIRSESMNDLM-UHFFFAOYSA-N |
Product Overview
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 848920-68-3), with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
Property Insights of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
The XLogP value of 3.2 indicates that 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide. Following Lipinski's Rule of Five, 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide 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 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The CAS number of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is 848920-68-3.
What is the molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is C22H19N5O3S.
What is the molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is 433.12 g/mol.
Where can I buy 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
You can request a quote for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.