8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione (CAS 371127-58-1) is a chemical compound with molecular formula C17H28N4O4S and molecular weight 384.18 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-octylpurine-2,6-dione
Also Known As: 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione, AB00673542-01, F1167-0126, 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-octylpurine-2,6-dione, 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-octyl-purine-2,6-dione
| Molecular Formula | C17H28N4O4S |
|---|---|
| Molecular Weight | 384.18 g/mol |
| LogP | 1.2291 |
| Topological Polar Surface Area | 113.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 384.18314 |
| Heavy Atoms | 26 |
| Complexity | 826.5028 |
Chemical Identifiers
| CAS Number | 371127-58-1 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SCC(CO)O)N(C(=O)NC2=O)C |
Product Overview
8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione (CAS 371127-58-1), with molecular formula C17H28N4O4S and molecular weight 384.18 g/mol. IUPAC: 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-octylpurine-2,6-dione.
Chemical Property Profile of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione. 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-octyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-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-octyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione is 371127-58-1.
What is the molecular formula of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione is C17H28N4O4S.
What is the molecular weight of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione is 384.18 g/mol.
Where can I buy 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-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-octyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2,3-dihydroxypropyl)thio)-3-methyl-7-octyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.