![7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione structure](/static/products/849/849922-22-1.png)
7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
TL;DR: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 849922-22-1) is a chemical compound with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: BAS 12401138, 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione, 6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanyl-3,7-dihydro-2H-purin-2-one, 8-mercapto-7-(4-methoxyphenethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-Mercapto-7-[2-(4-methoxy-phenyl)-ethyl]-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C15H16N4O3S |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 1.33719 |
| Topological Polar Surface Area | 84.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.0943 |
| Heavy Atoms | 23 |
| Complexity | 1024.0322 |
Chemical Identifiers
| CAS Number | 849922-22-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CCC3=CC=C(C=C3)OC |
Product Overview
7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 849922-22-1), with molecular formula C15H16N4O3S and molecular weight 332.09 g/mol. IUPAC: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Property Insights of 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
The XLogP value of 1.33719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione. The TPSA of 84.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione has 2 hydrogen bond donor(s) and 4 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-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The CAS number of 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is 849922-22-1.
What is the molecular formula of 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular formula of 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is C15H16N4O3S.
What is the molecular weight of 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular weight of 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione is 332.09 g/mol.
Where can I buy 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
You can request a quote for 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-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-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.