![7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/3297/329705-99-9.webp)
7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 329705-99-9) is a chemical compound with molecular formula C26H38N4O2S and molecular weight 470.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-dodecyl-3-methyl-8-(2-phenylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 00734008, 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-dodecyl-3-methyl-8-(2-phenylethylsulfanyl)purine-2,6-dione, 7-dodecyl-3-methyl-8-phenethylsulfanylpurine-2,6-dione, 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C26H38N4O2S |
|---|---|
| Molecular Weight | 470.27 g/mol |
| LogP | 5.679 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 470.27155 |
| Heavy Atoms | 33 |
| Complexity | 1101.1627 |
Chemical Identifiers
| CAS Number | 329705-99-9 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 329705-99-9), with molecular formula C26H38N4O2S and molecular weight 470.27 g/mol. IUPAC: 7-dodecyl-3-methyl-8-(2-phenylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 5.679 indicates that 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-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 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-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 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is 329705-99-9.
What is the molecular formula of 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is C26H38N4O2S.
What is the molecular weight of 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is 470.27 g/mol.
Where can I buy 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-dodecyl-3-methyl-8-[(2-phenylethyl)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-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.