1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate
TL;DR: 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate (CAS 57165-54-5) is a chemical compound with molecular formula C32H43NO11 and molecular weight 617.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-4-[2-(1,3-benzodioxol-5-yl)ethyl]-N,N-diethylhexan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate, 1,3-Benzodioxole-5-hexanamine, delta-(2-(1,3-benzodioxol-5-yl)ethyl)-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (salt), 2-Hydroxypropane-1,2,3-tricarboxylic acid--6-(2H-1,3-benzodioxol-5-yl)-4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-N,N-diethylhexan-1-amine (1/1), 6-(1,3-benzodioxol-5-yl)-4-[2-(1,3-benzodioxol-5-yl)ethyl]-N,N-diethylhexan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid, RefChem:217945
| Molecular Formula | C32H43NO11 |
|---|---|
| Molecular Weight | 617.28 g/mol |
| LogP | 4.1991 |
| Topological Polar Surface Area | 172.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 617.2836 |
| Heavy Atoms | 44 |
| Complexity | 1183.2559 |
Chemical Identifiers
| CAS Number | 57165-54-5 |
|---|---|
| SMILES | CCN(CC)CCCC(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
1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate (CAS 57165-54-5), with molecular formula C32H43NO11 and molecular weight 617.28 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-4-[2-(1,3-benzodioxol-5-yl)ethyl]-N,N-diethylhexan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate
Property Insights of 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate
The XLogP value of 4.1991 indicates that 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.29 Ų indicates high polarity, suggesting 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, 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 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate?
The CAS number of 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate is 57165-54-5.
What is the molecular formula of 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate?
The molecular formula of 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate is C32H43NO11.
What is the molecular weight of 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate?
The molecular weight of 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate is 617.28 g/mol.
Where can I buy 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate?
You can request a quote for 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, (3-(diethylaminopropyl)pentamethylene)bis-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.