5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid
TL;DR: 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid (CAS 94386-43-3) is a chemical compound with molecular formula C33H44N2O7 and molecular weight 580.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-[4-(hexadecanoylamino)phenyl]-3-oxopropanoyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: EINECS 305-265-9, 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid, 5-[[1,3-DIOXO-3-[4-[(1-OXOHEXADECYL)AMINO]PHENYL]PROPYL]AMINO]ISOPHTHALIC ACID, 5-[[1,3-dioxo-3-[4-[ amino]phenyl]propyl]amino]isophthalicacid, 5-[[1,3-dioxo-3-[4-[amino]phenyl]propyl]amino]isophthalicacid
| Molecular Formula | C33H44N2O7 |
|---|---|
| Molecular Weight | 580.31 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 21 |
| Exact Mass | 580.3149 |
| Heavy Atoms | 42 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 94386-43-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
| InChIKey | AZOTVGZNUKURSS-UHFFFAOYSA-N |
Product Overview
5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid (CAS 94386-43-3), with molecular formula C33H44N2O7 and molecular weight 580.31 g/mol. IUPAC: 5-[[3-[4-(hexadecanoylamino)phenyl]-3-oxopropanoyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid
Property Insights of 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid
The XLogP value of 8.7 indicates that 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid?
The CAS number of 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid is 94386-43-3.
What is the molecular formula of 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid?
The molecular formula of 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid is C33H44N2O7.
What is the molecular weight of 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid?
The molecular weight of 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid is 580.31 g/mol.
Where can I buy 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid?
You can request a quote for 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((1,3-Dioxo-3-(4-((1-oxohexadecyl)amino)phenyl)propyl)amino)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.