![2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one structure](/static/products/828/828299-89-4.png)
2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one
TL;DR: 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one (CAS 828299-89-4) is a chemical compound with molecular formula C9H12N4OS and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diethyl-5-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-7-one
Also Known As: 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one, 2,6-diethyl-5-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-7-one, 2,6-DIETHYL-5-MERCAPTO-2,6-DIHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 2,6-Diethyl-5-thioxo-2,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one, 2,6-diethyl-5-thioxo-4H-pyrazolo[4,3-d]pyrimidin-7-one
| Molecular Formula | C9H12N4OS |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.29539 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.07318 |
| Heavy Atoms | 15 |
| Complexity | 606.5804 |
Chemical Identifiers
| CAS Number | 828299-89-4 |
|---|---|
| SMILES | CCN1C=C2C(=N1)C(=O)N(C(=S)N2)CC |
Product Overview
2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one (CAS 828299-89-4), with molecular formula C9H12N4OS and molecular weight 224.07 g/mol. IUPAC: 2,6-diethyl-5-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-7-one.
Chemical Property Profile of 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one
Property Insights of 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one
The XLogP value of 1.29539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one. With a topological polar surface area (TPSA) of 55.61 Ų, 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one has 1 hydrogen bond donor(s) and 3 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 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one?
The CAS number of 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one is 828299-89-4.
What is the molecular formula of 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one?
The molecular formula of 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one is C9H12N4OS.
What is the molecular weight of 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one?
The molecular weight of 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one is 224.07 g/mol.
Where can I buy 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one?
You can request a quote for 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diethyl-5-thioxo-5,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.