8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331841-59-9) is a chemical compound with molecular formula C23H40N4O2S and molecular weight 436.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-dodecylsulfanyl-3-methyl-7-pentylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5843191:001, BAS 00620107, 8-dodecylsulfanyl-3-methyl-7-pentylpurine-2,6-dione, 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione, 8-(dodecylsulfanyl)-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C23H40N4O2S |
|---|---|
| Molecular Weight | 436.29 g/mol |
| LogP | 5.6265 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 436.2872 |
| Heavy Atoms | 30 |
| Complexity | 868.43585 |
Chemical Identifiers
| CAS Number | 331841-59-9 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2C |
Product Overview
8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331841-59-9), with molecular formula C23H40N4O2S and molecular weight 436.29 g/mol. IUPAC: 8-dodecylsulfanyl-3-methyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 5.6265 indicates that 8-(dodecylsulfanyl)-3-methyl-7-pentyl-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)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(dodecylsulfanyl)-3-methyl-7-pentyl-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)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is 331841-59-9.
What is the molecular formula of 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is C23H40N4O2S.
What is the molecular weight of 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is 436.29 g/mol.
Where can I buy 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(dodecylsulfanyl)-3-methyl-7-pentyl-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)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(dodecylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.