4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester
TL;DR: 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester (CAS 3542-78-7) is a chemical compound with molecular formula C23H35NO3 and molecular weight 373.2617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[5-(oxolan-2-yl)pentyl]-4-phenylpiperidine-4-carboxylate
Also Known As: TA 108, 5-22-02-00494 (Beilstein Handbook Reference), ethyl 1-[5-(oxolan-2-yl)pentyl]-4-phenylpiperidine-4-carboxylate, 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester, ISONIPECOTIC ACID, 4-PHENYL-1-(5-(TETRAHYDRO-2-FURYL)PENTYL)-, ETHYL ESTER
Technical Specifications
| Molecular Formula | C23H35NO3 |
| Molecular Weight | 373.2617 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 373.2617 Da |
| Heavy Atoms | 27 |
| Complexity | 439.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)CCCCCC2CCCO2)C3=CC=CC=C3 |
| InChIKey | XQDDBZPLKHZVKW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester
Property Insights of 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester
The XLogP value of 4.3 indicates that 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)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-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)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
What is the CAS number of 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester?
The CAS number of 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester is 3542-78-7.
What is the molecular formula of 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester?
The molecular formula of 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester is C23H35NO3.
What is the molecular weight of 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester?
The molecular weight of 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester is 373.2617 g/mol.
Where can I buy 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester?
You can request a quote for 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Phenyl-1-(5-(tetrahydro-2-furyl)pentyl)isonipecotic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.