7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione (CAS 329699-26-5) is a chemical compound with molecular formula C13H20N4O2S and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-heptyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: 7-heptyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione, 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione, 7-heptyl-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C13H20N4O2S |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.05629 |
| Topological Polar Surface Area | 75.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.1307 |
| Heavy Atoms | 20 |
| Complexity | 765.23987 |
Chemical Identifiers
| CAS Number | 329699-26-5 |
|---|---|
| SMILES | CCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C |
Product Overview
7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione (CAS 329699-26-5), with molecular formula C13H20N4O2S and molecular weight 296.13 g/mol. IUPAC: 7-heptyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.05629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 75.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 3 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-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is 329699-26-5.
What is the molecular formula of 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is C13H20N4O2S.
What is the molecular weight of 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione is 296.13 g/mol.
Where can I buy 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-heptyl-3-methyl-8-sulfanyl-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-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-heptyl-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.