7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione
TL;DR: 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione (CAS 329702-91-2) is a chemical compound with molecular formula C21H34N4O3S and molecular weight 422.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-dodecyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
Also Known As: 7-dodecyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione, 7-dodecyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-dodecyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione, 7-dodecyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H34N4O3S |
|---|---|
| Molecular Weight | 422.24 g/mol |
| LogP | 4.0253 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 422.23517 |
| Heavy Atoms | 29 |
| Complexity | 913.0126 |
Chemical Identifiers
| CAS Number | 329702-91-2 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C |
Product Overview
7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione (CAS 329702-91-2), with molecular formula C21H34N4O3S and molecular weight 422.24 g/mol. IUPAC: 7-dodecyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione
Property Insights of 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione
The XLogP value of 4.0253 indicates that 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione has 1 hydrogen bond donor(s) and 5 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-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
The CAS number of 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione is 329702-91-2.
What is the molecular formula of 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione is C21H34N4O3S.
What is the molecular weight of 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione is 422.24 g/mol.
Where can I buy 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-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-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Dodecyl-3-methyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.