8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione (CAS 370076-34-9) is a chemical compound with molecular formula C27H48N4O2S and molecular weight 492.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-dodecylsulfanyl-3-methyl-7-nonylpurine-2,6-dione
Also Known As: 8-dodecylsulfanyl-3-methyl-7-nonylpurine-2,6-dione, 8-dodecylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione, 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione, 8-(dodecylthio)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione, 8-(dodecylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C27H48N4O2S |
|---|---|
| Molecular Weight | 492.35 g/mol |
| LogP | 7.1869 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 492.3498 |
| Heavy Atoms | 34 |
| Complexity | 931.0786 |
Chemical Identifiers
| CAS Number | 370076-34-9 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NC2=C(N1CCCCCCCCC)C(=O)NC(=O)N2C |
Product Overview
8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione (CAS 370076-34-9), with molecular formula C27H48N4O2S and molecular weight 492.35 g/mol. IUPAC: 8-dodecylsulfanyl-3-methyl-7-nonylpurine-2,6-dione.
Chemical Property Profile of 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 7.1869 indicates that 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-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-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-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-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione is 370076-34-9.
What is the molecular formula of 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione is C27H48N4O2S.
What is the molecular weight of 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione is 492.35 g/mol.
Where can I buy 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(dodecylthio)-3-methyl-7-nonyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.