8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 313470-87-0) is a chemical compound with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxypropylsulfanyl)-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: BAS 00619071, 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, AB01309886-01, F0381-4646, 8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H20N4O3S |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.1389 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.1256 |
| Heavy Atoms | 25 |
| Complexity | 988.781 |
Chemical Identifiers
| CAS Number | 313470-87-0 |
|---|---|
| SMILES | CC(CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C)O |
Product Overview
8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 313470-87-0), with molecular formula C17H20N4O3S and molecular weight 360.13 g/mol. IUPAC: 8-(2-hydroxypropylsulfanyl)-3-methyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.1389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione has 2 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 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 313470-87-0.
What is the molecular formula of 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is C17H20N4O3S.
What is the molecular weight of 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 360.13 g/mol.
Where can I buy 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-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 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-hydroxypropyl)thio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.