![methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate structure](/static/products/861/861634-72-2.png)
methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate
TL;DR: methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate (CAS 861634-72-2) 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.
methyl 4-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate
Also Known As: F1874-0060, methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate, methyl 4-[2-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}sulfanyl)acetamido]benzoate, methyl 4-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate, methyl 4-({[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C21H17N5O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 3.3329 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.10522 |
| Heavy Atoms | 30 |
| Complexity | 1192.4838 |
Chemical Identifiers
| CAS Number | 861634-72-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4 |
Product Overview
methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate (CAS 861634-72-2), with molecular formula C21H17N5O3S and molecular weight 419.11 g/mol. IUPAC: methyl 4-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate
Property Insights of methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate
The XLogP value of 3.3329 indicates that methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)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-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)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-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate?
The CAS number of methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate is 861634-72-2.
What is the molecular formula of methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate?
The molecular formula of methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate is C21H17N5O3S.
What is the molecular weight of methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate?
The molecular weight of methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate is 419.11 g/mol.
Where can I buy methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate?
You can request a quote for methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)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-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.