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Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate (CAS 329932-18-5) is a chemical compound with molecular formula C17H20N2O7 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-methoxycarbonyl-5-nitrobenzoyl)piperidine-4-carboxylate
Also Known As: BAS 00856764, BIM-0029668.P001, ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate, ETHYL 1-[3-(METHOXYCARBONYL)-5-NITROBENZOYL]PIPERIDINE-4-CARBOXYLATE, ethyl 1-(3-methoxycarbonyl-5-nitrobenzoyl)piperidine-4-carboxylate
| Molecular Formula | C17H20N2O7 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 1.7967 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.12704 |
| Heavy Atoms | 26 |
| Complexity | 723.8216 |
Chemical Identifiers
| CAS Number | 329932-18-5 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate (CAS 329932-18-5), with molecular formula C17H20N2O7 and molecular weight 364.13 g/mol. IUPAC: ethyl 1-(3-methoxycarbonyl-5-nitrobenzoyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate
The XLogP value of 1.7967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 7 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-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate is 329932-18-5.
What is the molecular formula of Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate is C17H20N2O7.
What is the molecular weight of Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate is 364.13 g/mol.
Where can I buy Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]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-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[3-nitro-5-(methoxycarbonyl)benzoyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.