![methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/573/573709-79-2.png)
methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate (CAS 573709-79-2) 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.
methyl 4-[[2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate
Also Known As: methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate, methyl 4-[[2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C22H19N5O3S |
|---|---|
| Molecular Weight | 433.12 g/mol |
| LogP | 3.392 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.12085 |
| Heavy Atoms | 31 |
| Complexity | 1209.0436 |
Chemical Identifiers
| CAS Number | 573709-79-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4 |
Product Overview
methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate (CAS 573709-79-2), with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol. IUPAC: methyl 4-[[2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.392 indicates that methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate 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 methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate is 573709-79-2.
What is the molecular formula of methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate is C22H19N5O3S.
What is the molecular weight of methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate is 433.12 g/mol.
Where can I buy methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.