alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate
TL;DR: alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate (CAS 64246-13-5) is a chemical compound with molecular formula C33H41NO15 and molecular weight 691.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-yl] acetate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate, 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, acetate (ester), citrate, [1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-yl] acetate; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-[(2H-1,3-benzodioxol-5-yl)oxy]-2-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-(piperidin-1-yl)pentan-2-yl acetate (1/1), RefChem:234275
| Molecular Formula | C33H41NO15 |
|---|---|
| Molecular Weight | 691.25 g/mol |
| LogP | 2.9213 |
| Topological Polar Surface Area | 217.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 691.2476 |
| Heavy Atoms | 49 |
| Complexity | 1394.4812 |
Chemical Identifiers
| CAS Number | 64246-13-5 |
|---|---|
| SMILES | CC(=O)OC(CCCN1CCCCC1)(COC2=CC3=C(C=C2)OCO3)COC4=CC5=C(C=C4)OCO5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate (CAS 64246-13-5), with molecular formula C33H41NO15 and molecular weight 691.25 g/mol. IUPAC: [1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-yl] acetate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate
Property Insights of alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate
The XLogP value of 2.9213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate. The TPSA of 217.05 Ų indicates high polarity, suggesting alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate?
The CAS number of alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate is 64246-13-5.
What is the molecular formula of alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate?
The molecular formula of alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate is C33H41NO15.
What is the molecular weight of alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate?
The molecular weight of alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate is 691.25 g/mol.
Where can I buy alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate?
You can request a quote for alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha-Bis((3,4-(methylenedioxy)phenoxy)methyl)-1-piperidinebutanol acetate citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.