![4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide structure](/static/products/578/578754-45-7.png)
4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide
TL;DR: 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide (CAS 578754-45-7) is a chemical compound with molecular formula C21H18N6O2S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide
Also Known As: 4-(2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzamide, 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide, 4-[[2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide
| Molecular Formula | C21H18N6O2S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 2.7043 |
| Topological Polar Surface Area | 115.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.1212 |
| Heavy Atoms | 30 |
| Complexity | 1191.3385 |
Chemical Identifiers
| CAS Number | 578754-45-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)N |
Product Overview
4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide (CAS 578754-45-7), with molecular formula C21H18N6O2S and molecular weight 418.12 g/mol. IUPAC: 4-[[2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide.
Chemical Property Profile of 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide
Property Insights of 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide
The XLogP value of 2.7043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide. The TPSA of 115.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide. Following Lipinski's Rule of Five, 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide has 2 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 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide?
The CAS number of 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide is 578754-45-7.
What is the molecular formula of 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide?
The molecular formula of 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide is C21H18N6O2S.
What is the molecular weight of 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide?
The molecular weight of 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide is 418.12 g/mol.
Where can I buy 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide?
You can request a quote for 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.