4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester
TL;DR: 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester (CAS 80239-66-3) is a chemical compound with molecular formula C15H22ClNO3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 4-ethoxybenzoate;hydrochloride
Also Known As: 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester, (1-methylpiperidin-4-yl) 4-ethoxybenzoate hydrochloride, 1-METHYLPIPERIDIN-4-YL 4-ETHOXYBENZOATE HYDROCHLORIDE
| Molecular Formula | C15H22ClNO3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.7581 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1288 |
| Heavy Atoms | 20 |
| Complexity | 413.63174 |
Chemical Identifiers
| CAS Number | 80239-66-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OC2CCN(CC2)C.Cl |
Product Overview
4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester (CAS 80239-66-3), with molecular formula C15H22ClNO3 and molecular weight 299.13 g/mol. IUPAC: (1-methylpiperidin-4-yl) 4-ethoxybenzoate;hydrochloride.
Chemical Property Profile of 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester
Property Insights of 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester
The XLogP value of 2.7581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester. With a topological polar surface area (TPSA) of 38.77 Ų, 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl 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-piperidin-4-yl ester?
The CAS number of 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester is 80239-66-3.
What is the molecular formula of 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester?
The molecular formula of 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester is C15H22ClNO3.
What is the molecular weight of 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester?
The molecular weight of 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester is 299.13 g/mol.
Where can I buy 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester?
You can request a quote for 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl 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-piperidin-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-benzoic acid 1-methyl-piperidin-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.