1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione
TL;DR: 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione (CAS 16137-63-6) is a chemical compound with molecular formula C17H12N4O5S and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dioxo-1-phenyl-4H-pyrazolo[4,5-d]pyrimidin-6-yl) benzenesulfonate
Also Known As: 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione, (5,7-dioxo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzenesulfonate, (5,7-dioxo-1-phenyl-4H-pyrazolo[4,3-d]pyrimidin-6-yl) benzen, 1-phenyl-6-[(phenylsulfonyl)oxy]-1h-pyrazolo[4,3-d]pyrimidine-5,7(4h,6h)-dione, 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
| Molecular Formula | C17H12N4O5S |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.05283 |
| Heavy Atoms | 27 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 16137-63-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)NC(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4 |
| InChIKey | GANIRCGXISYRSI-UHFFFAOYSA-N |
Product Overview
1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione (CAS 16137-63-6), with molecular formula C17H12N4O5S and molecular weight 384.05 g/mol. IUPAC: (5,7-dioxo-1-phenyl-4H-pyrazolo[4,5-d]pyrimidin-6-yl) benzenesulfonate.
Chemical Property Profile of 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione
Property Insights of 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione. Following Lipinski's Rule of Five, 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione has 1 hydrogen bond donor(s) and 6 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 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione?
The CAS number of 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione is 16137-63-6.
What is the molecular formula of 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione?
The molecular formula of 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione is C17H12N4O5S.
What is the molecular weight of 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione?
The molecular weight of 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione is 384.05 g/mol.
Where can I buy 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione?
You can request a quote for 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-6-((phenylsulfonyl)oxy)-1H-pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.