7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 327167-12-4) is a chemical compound with molecular formula C21H36N4O2S and molecular weight 408.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-dodecyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
Also Known As: BAS 00733992, UPCMLD0ENAT5834959:001, 7-dodecyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione, AB00988463-01, 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H36N4O2S |
|---|---|
| Molecular Weight | 408.26 g/mol |
| LogP | 4.8447 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 408.2559 |
| Heavy Atoms | 28 |
| Complexity | 850.4332 |
Chemical Identifiers
| CAS Number | 327167-12-4 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C |
Product Overview
7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 327167-12-4), with molecular formula C21H36N4O2S and molecular weight 408.26 g/mol. IUPAC: 7-dodecyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 4.8447 indicates that 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-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-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-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 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 327167-12-4.
What is the molecular formula of 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C21H36N4O2S.
What is the molecular weight of 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 408.26 g/mol.
Where can I buy 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-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-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-dodecyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.