4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
TL;DR: 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester (CAS 1052409-90-1) is a chemical compound with molecular formula C17H26ClNO3 and molecular weight 327.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride
Also Known As: 1-(1-piperidyl)propan-2-yl 4-ethoxybenzoate Hydrochloride, 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate hydrochloride, 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester, 1-(PIPERIDIN-1-YL)PROPAN-2-YL 4-ETHOXYBENZOATE HYDROCHLORIDE
| Molecular Formula | C17H26ClNO3 |
|---|---|
| Molecular Weight | 327.16 g/mol |
| LogP | 3.5383 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.16013 |
| Heavy Atoms | 22 |
| Complexity | 443.7222 |
Chemical Identifiers
| CAS Number | 1052409-90-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OC(C)CN2CCCCC2.Cl |
Product Overview
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester (CAS 1052409-90-1), with molecular formula C17H26ClNO3 and molecular weight 327.16 g/mol. IUPAC: 1-piperidin-1-ylpropan-2-yl 4-ethoxybenzoate;hydrochloride.
Chemical Property Profile of 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
Property Insights of 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
The XLogP value of 3.5383 indicates that 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester has 0 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 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The CAS number of 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is 1052409-90-1.
What is the molecular formula of 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The molecular formula of 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is C17H26ClNO3.
What is the molecular weight of 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The molecular weight of 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester is 327.16 g/mol.
Where can I buy 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
You can request a quote for 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.