![7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione structure](/static/products/1105/110577-45-2.webp)
7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione (CAS 110577-45-2) is a chemical compound with molecular formula C18H14N4O5S and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-benzyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
Also Known As: (7-benzyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate, 7-benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione, 1-benzenesulfonyloxy-7-benzyl-3,7-dihydro-purine-2,6-dione, 7-Benzyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl benzenesulfonate, Benzenesulfonic acid,2,3,6,7-tetrahydro-2,6-dioxo-7-(phenylmethyl)-1H-purin-1-yl ester
| Molecular Formula | C18H14N4O5S |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.06848 |
| Heavy Atoms | 28 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 110577-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)OS(=O)(=O)C4=CC=CC=C4 |
| InChIKey | CFVWOXSZMUCFLR-UHFFFAOYSA-N |
Product Overview
7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione (CAS 110577-45-2), with molecular formula C18H14N4O5S and molecular weight 398.07 g/mol. IUPAC: (7-benzyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate.
Chemical Property Profile of 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-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-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-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-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione is 110577-45-2.
What is the molecular formula of 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione is C18H14N4O5S.
What is the molecular weight of 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione is 398.07 g/mol.
Where can I buy 7-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 7-Benzyl-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-Benzyl-1-[(phenylsulfonyl)oxy]-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-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.