1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate
TL;DR: 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate (CAS 101867-39-4) is a chemical compound with molecular formula C17H25NO4 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-1-ylpropan-2-yl 3,4-dimethoxybenzoate
Also Known As: 1-methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate, BAS 03335053, 1-piperidin-1-ylpropan-2-yl 3,4-dimethoxybenzoate, 1-(piperidin-1-yl)propan-2-yl 3,4-dimethoxybenzoate, AO-365/40892197
| Molecular Formula | C17H25NO4 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 2.735 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.17834 |
| Heavy Atoms | 22 |
| Complexity | 497.43234 |
Chemical Identifiers
| CAS Number | 101867-39-4 |
|---|---|
| SMILES | CC(CN1CCCCC1)OC(=O)C2=CC(=C(C=C2)OC)OC |
Product Overview
1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate (CAS 101867-39-4), with molecular formula C17H25NO4 and molecular weight 307.18 g/mol. IUPAC: 1-piperidin-1-ylpropan-2-yl 3,4-dimethoxybenzoate.
Chemical Property Profile of 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate
Property Insights of 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate
The XLogP value of 2.735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate. With a topological polar surface area (TPSA) of 48.0 Ų, 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate?
The CAS number of 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate is 101867-39-4.
What is the molecular formula of 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate?
The molecular formula of 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate is C17H25NO4.
What is the molecular weight of 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate?
The molecular weight of 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate is 307.18 g/mol.
Where can I buy 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate?
You can request a quote for 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(1-piperidinyl)ethyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.