8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 313470-48-3) is a chemical compound with molecular formula C16H26N4O3S and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-heptylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5731888:001, 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00684243-01, 8-heptylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione, F0381-3396
| Molecular Formula | C16H26N4O3S |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 2.1322 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 354.17258 |
| Heavy Atoms | 24 |
| Complexity | 777.9461 |
Chemical Identifiers
| CAS Number | 313470-48-3 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C |
Product Overview
8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 313470-48-3), with molecular formula C16H26N4O3S and molecular weight 354.17 g/mol. IUPAC: 8-heptylsulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.1322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 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-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 313470-48-3.
What is the molecular formula of 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C16H26N4O3S.
What is the molecular weight of 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 354.17 g/mol.
Where can I buy 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(heptylthio)-7-(2-methoxyethyl)-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 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(heptylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.