2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid
TL;DR: 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid (CAS 94134-71-1) is a chemical compound with molecular formula C30H51N3O4 and molecular weight 517.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(octadecanoylamino)ethylamino]ethylcarbamoyl]benzoic acid
Also Known As: EINECS 302-840-6, 2-[[[2-[[2-[(1-OXOOCTADECYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]CARBONYL]BENZOIC ACID, 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid, 2-({2-[(2-OCTADECANAMIDOETHYL)AMINO]ETHYL}CARBAMOYL)BENZOIC ACID, 2-[[[2-[[2-[ amino]ethyl]amino]ethyl]amino]carbonyl]benzoicacid
| Molecular Formula | C30H51N3O4 |
|---|---|
| Molecular Weight | 517.39 g/mol |
| LogP | 6.0819 |
| Topological Polar Surface Area | 107.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 517.38794 |
| Heavy Atoms | 37 |
| Complexity | 754.097 |
Chemical Identifiers
| CAS Number | 94134-71-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid (CAS 94134-71-1), with molecular formula C30H51N3O4 and molecular weight 517.39 g/mol. IUPAC: 2-[2-[2-(octadecanoylamino)ethylamino]ethylcarbamoyl]benzoic acid.
Chemical Property Profile of 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid
Property Insights of 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid
The XLogP value of 6.0819 indicates that 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid?
The CAS number of 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid is 94134-71-1.
What is the molecular formula of 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid?
The molecular formula of 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid is C30H51N3O4.
What is the molecular weight of 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid?
The molecular weight of 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid is 517.39 g/mol.
Where can I buy 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid?
You can request a quote for 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2-((2-((1-Oxooctadecyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.