Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester
TL;DR: Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester (CAS 102395-63-1) is a chemical compound with molecular formula C21H23ClN2O3 and molecular weight 386.1397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[(4-chlorophenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
Also Known As: 4-22-00-01032 (Beilstein Handbook Reference), ISONIPECOTIC ACID, 1-((p-CHLOROPHENYL)CARBAMOYL)-4-PHENYL-, ETHYL ESTER, 1-((p-Chlorophenyl)carbamoyl)-4-phenyl-isonipecotic acid ethyl ester, ethyl 1-[(4-chlorophenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate, 1-[(p-Chlorophenyl)carbamoyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C21H23ClN2O3 |
| Molecular Weight | 386.1397 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1397 Da |
| Heavy Atoms | 27 |
| Complexity | 506.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
| InChIKey | TWDHUKNNPOZKBS-UHFFFAOYSA-N |
Chemical Property Profile of Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester
Property Insights of Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester
The XLogP value of 3.9 indicates that Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-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 58.6 Ų, Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, 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, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester?
The CAS number of Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester is 102395-63-1.
What is the molecular formula of Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester?
The molecular formula of Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester is C21H23ClN2O3.
What is the molecular weight of Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester?
The molecular weight of Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester is 386.1397 g/mol.
Where can I buy Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester?
You can request a quote for Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-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-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Isonipecotic acid, 1-((p-chlorophenyl)carbamoyl)-4-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.