Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester
TL;DR: Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester (CAS 102375-30-4) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-phenyl-1-(phenylcarbamoyl)piperidine-4-carboxylate
Also Known As: 4-Phenyl-1-phenylcarbamoyl-isonipecotic acid ethyl ester, ISONIPECOTIC ACID, 4-PHENYL-1-PHENYLCARBAMOYL-, ETHYL ESTER, 4-22-00-01032 (Beilstein Handbook Reference), ethyl 4-phenyl-1-(phenylcarbamoyl)piperidine-4-carboxylate, 4-Phenyl-1-(phenylcarbamoyl)-4-piperidinecarboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.17868 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.17868 Da |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | HPJHYOXTAUCLAH-UHFFFAOYSA-N |
Chemical Property Profile of Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester
Property Insights of Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester
The XLogP value of 3.3 indicates that Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester has 1 hydrogen bond donor(s) and 3 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, 4-phenyl-1-phenylcarbamoyl-, ethyl ester?
The CAS number of Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester is 102375-30-4.
What is the molecular formula of Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester?
The molecular formula of Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester is C21H24N2O3.
What is the molecular weight of Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester?
The molecular weight of Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester is 352.17868 g/mol.
Where can I buy Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester?
You can request a quote for Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Isonipecotic acid, 4-phenyl-1-phenylcarbamoyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.