Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester
TL;DR: Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester (CAS 3542-75-4) is a chemical compound with molecular formula C20H29NO3 and molecular weight 331.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-(oxolan-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate
Also Known As: 5-22-02-00494 (Beilstein Handbook Reference), 4-Phenyl-1-(2-(tetrahydro-2-furyl)ethyl)isonipecotic acid ethyl ester, ethyl 1-[2-(oxolan-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate, ISONIPECOTIC ACID, 4-PHENYL-1-(2-(TETRAHYDRO-2-FURYL)ETHYL)-, ETHYL ESTER, BRN 0436624
| Molecular Formula | C20H29NO3 |
|---|---|
| Molecular Weight | 331.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.21475 |
| Heavy Atoms | 24 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 3542-75-4 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCC2CCCO2)C3=CC=CC=C3 |
| InChIKey | DVPQIMAQRDKTQT-UHFFFAOYSA-N |
Product Overview
Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester (CAS 3542-75-4), with molecular formula C20H29NO3 and molecular weight 331.21 g/mol. IUPAC: ethyl 1-[2-(oxolan-2-yl)ethyl]-4-phenylpiperidine-4-carboxylate.
Chemical Property Profile of Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester
Property Insights of Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester
The XLogP value of 3.2 indicates that Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, 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
Frequently Asked Questions
What is the CAS number of Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester?
The CAS number of Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester is 3542-75-4.
What is the molecular formula of Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester?
The molecular formula of Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester is C20H29NO3.
What is the molecular weight of Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester?
The molecular weight of Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester is 331.21 g/mol.
Where can I buy Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester?
You can request a quote for Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid, 4-phenyl-1-(2-(tetrahydro-2-furyl)ethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.