Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate
TL;DR: Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate (CAS 465535-03-9) is a chemical compound with molecular formula C18H27NO5 and molecular weight 337.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylate
Also Known As: ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate, AB00019962-01, AB00019962-02, ethyl 1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylate
| Molecular Formula | C18H27NO5 |
|---|---|
| Molecular Weight | 337.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.18893 |
| Heavy Atoms | 24 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 465535-03-9 |
|---|---|
| SMILES | CCOC(=O)C1CCCCN1CC2=C(C(=C(C=C2)OC)OC)OC |
| InChIKey | WAHUZCMYTOEZBZ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate (CAS 465535-03-9), with molecular formula C18H27NO5 and molecular weight 337.19 g/mol. IUPAC: ethyl 1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylate.
Chemical Property Profile of Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate
Property Insights of Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate. With a topological polar surface area (TPSA) of 57.2 Ų, Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate has 0 hydrogen bond donor(s) and 6 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-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate?
The CAS number of Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate is 465535-03-9.
What is the molecular formula of Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate?
The molecular formula of Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate is C18H27NO5.
What is the molecular weight of Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate?
The molecular weight of Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate is 337.19 g/mol.
Where can I buy Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate?
You can request a quote for Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-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-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2,3,4-trimethoxybenzyl)piperidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.