3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione
TL;DR: 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 328071-85-8) is a chemical compound with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-phenylethyl)-8-propylsulfanylpurine-2,6-dione
Also Known As: ML146 Analog, BAS 00732889, 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione, AB00399711-05, AB00399711-11
| Molecular Formula | C17H20N4O2S |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.1307 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 328071-85-8 |
|---|---|
| SMILES | CCCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C |
| InChIKey | KQDJFASEWAFDPZ-UHFFFAOYSA-N |
Product Overview
3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 328071-85-8), with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol. IUPAC: 3-methyl-7-(2-phenylethyl)-8-propylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione
Property Insights of 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.0 indicates that 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-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 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione is 328071-85-8.
What is the molecular formula of 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione is C17H20N4O2S.
What is the molecular weight of 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione is 344.13 g/mol.
Where can I buy 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-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 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-phenethyl-8-propylsulfanyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.