8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 329705-16-0) is a chemical compound with molecular formula C24H42N4O2S and molecular weight 450.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-dodecylsulfanyl-7-hexyl-3-methylpurine-2,6-dione
Also Known As: BAS 00844508, 8-dodecylsulfanyl-7-hexyl-3-methylpurine-2,6-dione, UPCMLD0ENAT5843114:001, 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, AB00988282-01
| Molecular Formula | C24H42N4O2S |
|---|---|
| Molecular Weight | 450.30 g/mol |
| LogP | 6.0166 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 450.30286 |
| Heavy Atoms | 31 |
| Complexity | 884.05725 |
Chemical Identifiers
| CAS Number | 329705-16-0 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NC2=C(N1CCCCCC)C(=O)NC(=O)N2C |
Product Overview
8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 329705-16-0), with molecular formula C24H42N4O2S and molecular weight 450.30 g/mol. IUPAC: 8-dodecylsulfanyl-7-hexyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 6.0166 indicates that 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 329705-16-0.
What is the molecular formula of 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C24H42N4O2S.
What is the molecular weight of 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 450.30 g/mol.
Where can I buy 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(dodecylsulfanyl)-7-hexyl-3-methyl-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 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(dodecylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.