4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester
TL;DR: 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester (CAS 2260-45-9) is a chemical compound with molecular formula C21H31NO3 and molecular weight 345.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(oxolan-2-yl)propyl]-4-phenylpiperidine-4-carboxylate
Also Known As: TA 98, 5-22-02-00494 (Beilstein Handbook Reference), 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester, ethyl 1-[3-(oxolan-2-yl)propyl]-4-phenylpiperidine-4-carboxylate, 4-Piperidinecarboxylic acid, 4-phenyl-1-(3-(tetrahydro-2-furanyl)propyl)-, ethyl ester
| Molecular Formula | C21H31NO3 |
|---|---|
| Molecular Weight | 345.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.2304 |
| Heavy Atoms | 25 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 2260-45-9 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CCCC2CCCO2)C3=CC=CC=C3 |
| InChIKey | QHDJAMFGKRJOLY-UHFFFAOYSA-N |
Product Overview
4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester (CAS 2260-45-9), with molecular formula C21H31NO3 and molecular weight 345.23 g/mol. IUPAC: ethyl 1-[3-(oxolan-2-yl)propyl]-4-phenylpiperidine-4-carboxylate.
Chemical Property Profile of 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester
Property Insights of 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester
The XLogP value of 3.6 indicates that 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid 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, 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid 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 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester?
The CAS number of 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester is 2260-45-9.
What is the molecular formula of 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester?
The molecular formula of 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester is C21H31NO3.
What is the molecular weight of 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester?
The molecular weight of 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester is 345.23 g/mol.
Where can I buy 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester?
You can request a quote for 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1-(3-(tetrahydro-2-furyl)propyl)isonipecotic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.