7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 331675-12-8) is a chemical compound with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione, 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H20N4O4S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 1.08819 |
| Topological Polar Surface Area | 105.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.1205 |
| Heavy Atoms | 26 |
| Complexity | 1091.124 |
Chemical Identifiers
| CAS Number | 331675-12-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(NC2=S)N(C(=O)NC3=O)C)O |
Product Overview
7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 331675-12-8), with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol. IUPAC: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.08819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 105.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione has 3 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 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is 331675-12-8.
What is the molecular formula of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is C17H20N4O4S.
What is the molecular weight of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is 376.12 g/mol.
Where can I buy 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.