1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate
TL;DR: 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate (CAS 64246-15-7) is a chemical compound with molecular formula C33H42N2O15 and molecular weight 706.26 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] N-methylcarbamate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate, [1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-yl] N-methylcarbamate; 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 methylcarbamate (1/1), RefChem:234277
| Molecular Formula | C33H42N2O15 |
|---|---|
| Molecular Weight | 706.26 g/mol |
| LogP | 2.7142 |
| Topological Polar Surface Area | 229.08 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 706.25854 |
| Heavy Atoms | 50 |
| Complexity | 1416.0012 |
Chemical Identifiers
| CAS Number | 64246-15-7 |
|---|---|
| SMILES | CNC(=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
1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate (CAS 64246-15-7), with molecular formula C33H42N2O15 and molecular weight 706.26 g/mol. IUPAC: [1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-yl] N-methylcarbamate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate
Property Insights of 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate
The XLogP value of 2.7142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate. The TPSA of 229.08 Ų indicates high polarity, suggesting 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate has 5 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 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate?
The CAS number of 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate is 64246-15-7.
What is the molecular formula of 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate?
The molecular formula of 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate is C33H42N2O15.
What is the molecular weight of 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate?
The molecular weight of 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate is 706.26 g/mol.
Where can I buy 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate?
You can request a quote for 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinebutanol, alpha,alpha-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.