![2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide structure](/static/products/862/862107-10-6.png)
2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
TL;DR: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide (CAS 862107-10-6) is a chemical compound with molecular formula C26H21N5O2S and molecular weight 467.14 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-(4-phenoxyphenyl)acetamide
Also Known As: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide, AO-022/43452856, 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-phenoxyphenyl)acetamide
| Molecular Formula | C26H21N5O2S |
|---|---|
| Molecular Weight | 467.14 g/mol |
| LogP | 5.3977 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.1416 |
| Heavy Atoms | 34 |
| Complexity | 1389.6995 |
Chemical Identifiers
| CAS Number | 862107-10-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5 |
Product Overview
2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide (CAS 862107-10-6), with molecular formula C26H21N5O2S and molecular weight 467.14 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
Property Insights of 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
The XLogP value of 5.3977 indicates that 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The CAS number of 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is 862107-10-6.
What is the molecular formula of 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The molecular formula of 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is C26H21N5O2S.
What is the molecular weight of 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The molecular weight of 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is 467.14 g/mol.
Where can I buy 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
You can request a quote for 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)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-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.