IFLab1_001005
TL;DR: IFLab1_001005 (CAS 231935-10-7) is a chemical compound with molecular formula C15H22N2O2S and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-2-methyl-4-(2-methylpropyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: IFLab1_001005, ethyl 5-cyano-2-methyl-4-(2-methylpropyl)-6-(methylsulfanyl)-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-2-methyl-4-(2-methylpropyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-4-isobutyl-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylate, 5-Cyano-4-isobutyl-2-methyl-6-methylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
| Molecular Formula | C15H22N2O2S |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 3.18718 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.1402 |
| Heavy Atoms | 20 |
| Complexity | 486.5922 |
Chemical Identifiers
| CAS Number | 231935-10-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1CC(C)C)C#N)SC)C |
Product Overview
IFLab1_001005 (CAS 231935-10-7), with molecular formula C15H22N2O2S and molecular weight 294.14 g/mol. IUPAC: ethyl 5-cyano-2-methyl-4-(2-methylpropyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of IFLab1_001005
Property Insights of IFLab1_001005
The XLogP value of 3.18718 indicates that IFLab1_001005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001005. Following Lipinski's Rule of Five, IFLab1_001005 has 1 hydrogen bond donor(s) and 5 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 IFLab1_001005?
The CAS number of IFLab1_001005 is 231935-10-7.
What is the molecular formula of IFLab1_001005?
The molecular formula of IFLab1_001005 is C15H22N2O2S.
What is the molecular weight of IFLab1_001005?
The molecular weight of IFLab1_001005 is 294.14 g/mol.
Where can I buy IFLab1_001005?
You can request a quote for IFLab1_001005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001005?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.