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Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate
TL;DR: Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate (CAS 663185-34-0) is a chemical compound with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate
Also Known As: 1-[4-(valerylamino)benzoyl]nipecotic acid ethyl ester, ETHYL 1-(4-PENTANAMIDOBENZOYL)PIPERIDINE-3-CARBOXYLATE, ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate, ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate, ethyl 1-{[4-(pentanoylamino)phenyl]carbonyl}piperidine-3-carboxylate
| Molecular Formula | C20H28N2O4 |
|---|---|
| Molecular Weight | 360.20 g/mol |
| LogP | 3.2306 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.2049 |
| Heavy Atoms | 26 |
| Complexity | 627.2033 |
Chemical Identifiers
| CAS Number | 663185-34-0 |
|---|---|
| SMILES | CCCCC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)OCC |
Product Overview
Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate (CAS 663185-34-0), with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol. IUPAC: ethyl 1-[4-(pentanoylamino)benzoyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate
Property Insights of Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate
The XLogP value of 3.2306 indicates that Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate has 1 hydrogen bond donor(s) and 4 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-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate?
The CAS number of Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate is 663185-34-0.
What is the molecular formula of Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate?
The molecular formula of Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate is C20H28N2O4.
What is the molecular weight of Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate?
The molecular weight of Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate is 360.20 g/mol.
Where can I buy Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate?
You can request a quote for Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[4-(pentanoylamino)benzoyl]-3-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.