7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione (CAS 1094-67-3) is a chemical compound with molecular formula C12H10N4O5S and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
Also Known As: 1-Benzolsulfonyloxy-7-methyl-xanthin, (7-methyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate, 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione, 7-methyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione, 1H-Purine-2,6-dione,3,7-dihydro-7-methyl-1-[(phenylsulfonyl)oxy]-
| Molecular Formula | C12H10N4O5S |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0372 |
| Heavy Atoms | 22 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 1094-67-3 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2)OS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | VNOMDGULZKFNHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione (CAS 1094-67-3), with molecular formula C12H10N4O5S and molecular weight 322.04 g/mol. IUPAC: (7-methyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate.
Chemical Property Profile of 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-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 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione is 1094-67-3.
What is the molecular formula of 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione is C12H10N4O5S.
What is the molecular weight of 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione is 322.04 g/mol.
Where can I buy 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-1-((phenylsulfonyl)oxy)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.