Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester
TL;DR: Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester (CAS 102395-62-0) is a chemical compound with molecular formula C21H25N3O3 and molecular weight 367.1896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[(4-aminophenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate
Also Known As: 4-22-00-01033 (Beilstein Handbook Reference), ISONIPECOTIC ACID, 1-((p-AMINOPHENYL)CARBAMOYL)-4-PHENYL-, ETHYL ESTER, 1-((p-Aminophenyl)carbamoyl)-4-phenyl-isonipecotic acid ethyl ester, ethyl 1-[(4-aminophenyl)carbamoyl]-4-phenylpiperidine-4-carboxylate, 1-[N-(p-Aminophenyl)carbamoyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C21H25N3O3 |
| Molecular Weight | 367.1896 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.1896 Da |
| Heavy Atoms | 27 |
| Complexity | 503.0 |
| SMILES | CCOC(=O)C1(CCN(CC1)C(=O)NC2=CC=C(C=C2)N)C3=CC=CC=C3 |
| InChIKey | GYNZWXDJSTWDBD-UHFFFAOYSA-N |
Chemical Property Profile of Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester
Property Insights of Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester. Following Lipinski's Rule of Five, Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester has 2 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 Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester?
The CAS number of Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester is 102395-62-0.
What is the molecular formula of Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester?
The molecular formula of Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester is C21H25N3O3.
What is the molecular weight of Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester?
The molecular weight of Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester is 367.1896 g/mol.
Where can I buy Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester?
You can request a quote for Isonipecotic acid, 1-((p-aminophenyl)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-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Isonipecotic acid, 1-((p-aminophenyl)carbamoyl)-4-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.