Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester
TL;DR: Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester (CAS 108479-11-4) is a chemical compound with molecular formula C17H25NO2S and molecular weight 307.1606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(2-methylsulfanylethyl)-4-phenylpiperidine-4-carboxylate
Also Known As: TA 59, TA59, 4-22-00-01017 (Beilstein Handbook Reference), ISONIPECOTIC ACID, 1-(2-(METHYLTHIO)ETHYL)-4-PHENYL-, ETHYL ESTER, 1-(2-(Methylthio)ethyl)-4-phenylisonipecotic acid ethyl ester
Technical Specifications
| Molecular Formula | C17H25NO2S |
| Molecular Weight | 307.1606 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.1606 Da |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)CCSC)C2=CC=CC=C2 |
| InChIKey | YWPBBVWCVHINNR-UHFFFAOYSA-N |
Chemical Property Profile of Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester
Property Insights of Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester
The XLogP value of 3.1 indicates that Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester?
The CAS number of Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester is 108479-11-4.
What is the molecular formula of Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester?
The molecular formula of Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester is C17H25NO2S.
What is the molecular weight of Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester?
The molecular weight of Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester is 307.1606 g/mol.
Where can I buy Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester?
You can request a quote for Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Isonipecotic acid, 1-(2-(methylthio)ethyl)-4-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.