![2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- structure](/static/products/6497/649758-47-4.webp)
2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-
TL;DR: 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- (CAS 649758-47-4) is a chemical compound with molecular formula C14H12N4OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one
Also Known As: 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-, 1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-2-one, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetone, 1-[(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]propan-2-one, Opera_ID_695
| Molecular Formula | C14H12N4OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.4966 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.07318 |
| Heavy Atoms | 20 |
| Complexity | 754.2147 |
Chemical Identifiers
| CAS Number | 649758-47-4 |
|---|---|
| SMILES | CC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3 |
Product Overview
2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- (CAS 649758-47-4), with molecular formula C14H12N4OS and molecular weight 284.07 g/mol. IUPAC: 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one.
Chemical Property Profile of 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-
Property Insights of 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-
The XLogP value of 2.4966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-. Following Lipinski's Rule of Five, 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- has 0 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 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-?
The CAS number of 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- is 649758-47-4.
What is the molecular formula of 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-?
The molecular formula of 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- is C14H12N4OS.
What is the molecular weight of 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-?
The molecular weight of 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- is 284.07 g/mol.
Where can I buy 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-?
You can request a quote for 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.