3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione
TL;DR: 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione (CAS 328071-94-9) is a chemical compound with molecular formula C17H26N4O3S and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-octyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5730940:001, BAS 00620138, 3-methyl-7-octyl-8-(2-oxopropylsulfanyl)purine-2,6-dione, 3-methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione, 3-methyl-7-octyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H26N4O3S |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 2.4649 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.17258 |
| Heavy Atoms | 25 |
| Complexity | 849.9206 |
Chemical Identifiers
| CAS Number | 328071-94-9 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C |
Product Overview
3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione (CAS 328071-94-9), with molecular formula C17H26N4O3S and molecular weight 366.17 g/mol. IUPAC: 3-methyl-7-octyl-8-(2-oxopropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione
Property Insights of 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione
The XLogP value of 2.4649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-octyl-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 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
The CAS number of 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione is 328071-94-9.
What is the molecular formula of 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione is C17H26N4O3S.
What is the molecular weight of 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione is 366.17 g/mol.
Where can I buy 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 3-Methyl-7-octyl-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 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-octyl-8-(2-oxopropylthio)-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.