7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 331675-48-0) is a chemical compound with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-propylsulfanylpurine-2,6-dione
Also Known As: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-propylsulfanylpurine-2,6-dione, 7-(2-Hydroxy-3-phenoxy-propyl)-3-methyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H22N4O4S |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 1.3653 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.13617 |
| Heavy Atoms | 27 |
| Complexity | 1025.503 |
Chemical Identifiers
| CAS Number | 331675-48-0 |
|---|---|
| SMILES | CCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C |
Product Overview
7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 331675-48-0), with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol. IUPAC: 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-propylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.3653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione has 2 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-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is 331675-48-0.
What is the molecular formula of 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is C18H22N4O4S.
What is the molecular weight of 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is 390.14 g/mol.
Where can I buy 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-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-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.