8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 369608-65-1) is a chemical compound with molecular formula C29H52N4O2S and molecular weight 520.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-heptylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
Also Known As: BAS 00512121, UPCMLD0ENAT5834941:001, 8-heptylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione, 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, AB00988457-01
| Molecular Formula | C29H52N4O2S |
|---|---|
| Molecular Weight | 520.38 g/mol |
| LogP | 7.9671 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 520.3811 |
| Heavy Atoms | 36 |
| Complexity | 962.5605 |
Chemical Identifiers
| CAS Number | 369608-65-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCC)N(C(=O)NC2=O)C |
Product Overview
8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 369608-65-1), with molecular formula C29H52N4O2S and molecular weight 520.38 g/mol. IUPAC: 8-heptylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 7.9671 indicates that 8-(heptylsulfanyl)-7-hexadecyl-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-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(heptylsulfanyl)-7-hexadecyl-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-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 369608-65-1.
What is the molecular formula of 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C29H52N4O2S.
What is the molecular weight of 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 520.38 g/mol.
Where can I buy 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(heptylsulfanyl)-7-hexadecyl-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-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.