8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione (CAS 332098-84-7) is a chemical compound with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione, F0404-0032, 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione, 8-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H18N4O4S |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | -0.5553 |
| Topological Polar Surface Area | 113.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1049 |
| Heavy Atoms | 22 |
| Complexity | 819.78 |
Chemical Identifiers
| CAS Number | 332098-84-7 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCC(CO)O)N(C(=O)NC2=O)C |
Product Overview
8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione (CAS 332098-84-7), with molecular formula C13H18N4O4S and molecular weight 326.10 g/mol. IUPAC: 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of -0.5553 indicates that 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione has 3 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 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione is 332098-84-7.
What is the molecular formula of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione is C13H18N4O4S.
What is the molecular weight of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione is 326.10 g/mol.
Where can I buy 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-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-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.