RefChem:217944
TL;DR: RefChem:217944 (CAS 57165-53-4) is a chemical compound with molecular formula C31H41NO11 and molecular weight 603.27 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,2-trimethylhexan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1,3-Benzodioxole, (3-(dimethylamino)isobutyl)pentamethylenebis-, citrate, 1,3-Benzodioxole-5-hexanamine, delta-(2-(1,3-benzodioxol-5-yl)ethyl)-N,N-beta-trimethyl-, 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,2-trimethylhexan-1-amine (1/1), 6-(1,3-benzodioxol-5-yl)-4-[2-(1,3-benzodioxol-5-yl)ethyl]-N,N,2-trimethylhexan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid, RefChem:217944
| Molecular Formula | C31H41NO11 |
|---|---|
| Molecular Weight | 603.27 g/mol |
| LogP | 3.6649 |
| Topological Polar Surface Area | 172.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 603.26794 |
| Heavy Atoms | 43 |
| Complexity | 1184.7902 |
Chemical Identifiers
| CAS Number | 57165-53-4 |
|---|---|
| SMILES | CC(CC(CCC1=CC2=C(C=C1)OCO2)CCC3=CC4=C(C=C3)OCO4)CN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
RefChem:217944 (CAS 57165-53-4), with molecular formula C31H41NO11 and molecular weight 603.27 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-4-[2-(1,3-benzodioxol-5-yl)ethyl]-N,N,2-trimethylhexan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:217944
Property Insights of RefChem:217944
The XLogP value of 3.6649 indicates that RefChem:217944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.29 Ų indicates high polarity, suggesting RefChem:217944 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:217944 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 RefChem:217944?
The CAS number of RefChem:217944 is 57165-53-4.
What is the molecular formula of RefChem:217944?
The molecular formula of RefChem:217944 is C31H41NO11.
What is the molecular weight of RefChem:217944?
The molecular weight of RefChem:217944 is 603.27 g/mol.
Where can I buy RefChem:217944?
You can request a quote for RefChem:217944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217944?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.