Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate (CAS 333350-48-4) is a chemical compound with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate
Also Known As: BAS 00785305, ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate, ethyl 1-[(3-methyl-4-nitrophenyl)carbonyl]piperidine-4-carboxylate, ETHYL 1-(3-METHYL-4-NITROBENZOYL)-4-PIPERIDINECARBOXYLATE, 1-(3-Methyl-4-nitro-benzoyl)-piperidine-4-carboxylic acid ethyl ester
| Molecular Formula | C16H20N2O5 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.1372 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 333350-48-4 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C |
| InChIKey | JPSLWFZKJCJJFR-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate (CAS 333350-48-4), with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol. IUPAC: ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate is 333350-48-4.
What is the molecular formula of Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate is C16H20N2O5.
What is the molecular weight of Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate is 320.14 g/mol.
Where can I buy Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-methyl-4-nitrobenzoyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.