![6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one structure](/static/products/6909/690960-21-5.webp)
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
TL;DR: 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 690960-21-5) is a chemical compound with molecular formula C19H21N5O2S and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 1-(azepan-1-yl)-2-({4-hydroxy-5-phenylpyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)ethanone, 6-(2-azaperhydroepinyl-2-oxoethylthio)-5-phenyl-5-hydropyrazolo[5,4-d]pyrimidi n-4-one, 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[2-(1-azepanyl)-2-oxoethyl]thio}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C19H21N5O2S |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.6035 |
| Topological Polar Surface Area | 83.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1416 |
| Heavy Atoms | 27 |
| Complexity | 990.2527 |
Chemical Identifiers
| CAS Number | 690960-21-5 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4 |
Product Overview
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 690960-21-5), with molecular formula C19H21N5O2S and molecular weight 383.14 g/mol. IUPAC: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Property Insights of 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
The XLogP value of 2.6035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one. The TPSA of 83.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 5 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 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The CAS number of 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is 690960-21-5.
What is the molecular formula of 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The molecular formula of 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is C19H21N5O2S.
What is the molecular weight of 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
The molecular weight of 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one is 383.14 g/mol.
Where can I buy 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
You can request a quote for 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.