7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 370075-26-6) is a chemical compound with molecular formula C20H26N4O5S and molecular weight 434.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-(2-hydroxypropylsulfanyl)-3-methyl-purine-2,6-dione, 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-6-hydroxy-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-2H-purin-2-one, 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione
| Molecular Formula | C20H26N4O5S |
|---|---|
| Molecular Weight | 434.16 g/mol |
| LogP | 0.8985 |
| Topological Polar Surface Area | 122.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.16238 |
| Heavy Atoms | 30 |
| Complexity | 1117.1577 |
Chemical Identifiers
| CAS Number | 370075-26-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCC(C)O)N(C(=O)NC3=O)C)O |
Product Overview
7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 370075-26-6), with molecular formula C20H26N4O5S and molecular weight 434.16 g/mol. IUPAC: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.8985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 122.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione has 3 hydrogen bond donor(s) and 7 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-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 370075-26-6.
What is the molecular formula of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C20H26N4O5S.
What is the molecular weight of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 434.16 g/mol.
Where can I buy 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-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-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.