3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione (CAS 327167-77-1) is a chemical compound with molecular formula C19H32N4O2S and molecular weight 380.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-ylsulfanyl-3-methyl-7-nonylpurine-2,6-dione
Also Known As: BAS 00396580, 8-butan-2-ylsulfanyl-3-methyl-7-nonylpurine-2,6-dione, 3-methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione, 8-(sec-butylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione, 8-sec-Butylsulfanyl-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C19H32N4O2S |
|---|---|
| Molecular Weight | 380.22 g/mol |
| LogP | 4.0645 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 380.2246 |
| Heavy Atoms | 26 |
| Complexity | 821.27905 |
Chemical Identifiers
| CAS Number | 327167-77-1 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C |
Product Overview
3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione (CAS 327167-77-1), with molecular formula C19H32N4O2S and molecular weight 380.22 g/mol. IUPAC: 8-butan-2-ylsulfanyl-3-methyl-7-nonylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of 4.0645 indicates that 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-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 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione has 1 hydrogen bond donor(s) and 4 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-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione is 327167-77-1.
What is the molecular formula of 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione is C19H32N4O2S.
What is the molecular weight of 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione is 380.22 g/mol.
Where can I buy 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 3-Methyl-8-(methylpropylthio)-7-nonyl-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-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-(methylpropylthio)-7-nonyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.