ML146 Analog
TL;DR: ML146 Analog (CAS 332149-69-6) is a chemical compound with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(3-methylbutylsulfanyl)-7-(2-phenylethyl)purine-2,6-dione
Also Known As: ML146 Analog, 3-methyl-8-[(3-methylbutyl)sulfanyl]-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-8-(3-methylbutylsulfanyl)-7-(2-phenylethyl)purine-2,6-dione, 3-methyl-8-(3-methylbutylsulfanyl)-7-phenethylpurine-2,6-dione, 8-(isopentylthio)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H24N4O2S |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.162 |
| Heavy Atoms | 26 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 332149-69-6 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C |
| InChIKey | MFSGRKGYQVLOKD-UHFFFAOYSA-N |
Product Overview
ML146 Analog (CAS 332149-69-6), with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol. IUPAC: 3-methyl-8-(3-methylbutylsulfanyl)-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of ML146 Analog
Property Insights of ML146 Analog
The XLogP value of 3.8 indicates that ML146 Analog 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 ML146 Analog. Following Lipinski's Rule of Five, ML146 Analog 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 ML146 Analog?
The CAS number of ML146 Analog is 332149-69-6.
What is the molecular formula of ML146 Analog?
The molecular formula of ML146 Analog is C19H24N4O2S.
What is the molecular weight of ML146 Analog?
The molecular weight of ML146 Analog is 372.16 g/mol.
Where can I buy ML146 Analog?
You can request a quote for ML146 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML146 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML146 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.