1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate
TL;DR: 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate (CAS 57165-48-7) is a chemical compound with molecular formula C27H33NO11 and molecular weight 547.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis(1,3-benzodioxol-5-yl)-N,N-dimethylpentan-3-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate, 1,3-Benzodioxole-5-propanamine, alpha-(2-(1,3-benzodioxol-5-yl)ethyl)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (salt), 1,5-bis(1,3-benzodioxol-5-yl)-N,N-dimethylpentan-3-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--1,5-bis(2H-1,3-benzodioxol-5-yl)-N,N-dimethylpentan-3-amine (1/1), RefChem:217956
| Molecular Formula | C27H33NO11 |
|---|---|
| Molecular Weight | 547.21 g/mol |
| LogP | 2.3911 |
| Topological Polar Surface Area | 172.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 547.2054 |
| Heavy Atoms | 39 |
| Complexity | 1102.8184 |
Chemical Identifiers
| CAS Number | 57165-48-7 |
|---|---|
| SMILES | CN(C)C(CCC1=CC2=C(C=C1)OCO2)CCC3=CC4=C(C=C3)OCO4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate (CAS 57165-48-7), with molecular formula C27H33NO11 and molecular weight 547.21 g/mol. IUPAC: 1,5-bis(1,3-benzodioxol-5-yl)-N,N-dimethylpentan-3-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate
Property Insights of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate
The XLogP value of 2.3911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate. The TPSA of 172.29 Ų indicates high polarity, suggesting 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate?
The CAS number of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate is 57165-48-7.
What is the molecular formula of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate?
The molecular formula of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate is C27H33NO11.
What is the molecular weight of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate?
The molecular weight of 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate is 547.21 g/mol.
Where can I buy 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate?
You can request a quote for 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Bis(3,4-methylenedioxyphenyl)-N,N-dimethyl-3-pentylamine citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.