Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid)
TL;DR: Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) (CAS 394-21-8) is a chemical compound with molecular formula C18H20I4N2O6 and molecular weight 867.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid
Also Known As: Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid), Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) [German], Butanoic acid, 2,2'-((2,3,5,6-tetraiodo-1,4-phenylene)bis(carbonylimino)methylene))bis-, 2,2'-[(2,3,5,6-tetraiodobenzene-1,4-diyl)bis(carbonyliminomethanediyl)]dibutanoic acid, 2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid
| Molecular Formula | C18H20I4N2O6 |
|---|---|
| Molecular Weight | 867.75 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 867.75 |
| Heavy Atoms | 30 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 394-21-8 |
|---|---|
| SMILES | CCC(CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)NCC(CC)C(=O)O)I)I)C(=O)O |
| InChIKey | YBZNNZCXHMVATE-UHFFFAOYSA-N |
Product Overview
Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) (CAS 394-21-8), with molecular formula C18H20I4N2O6 and molecular weight 867.75 g/mol. IUPAC: 2-[[[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]amino]methyl]butanoic acid.
Chemical Property Profile of Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid)
Property Insights of Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid)
The XLogP value of 3.9 indicates that Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid). Following Lipinski's Rule of Five, Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid)?
The CAS number of Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) is 394-21-8.
What is the molecular formula of Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid)?
The molecular formula of Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) is C18H20I4N2O6.
What is the molecular weight of Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid)?
The molecular weight of Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) is 867.75 g/mol.
Where can I buy Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid)?
You can request a quote for Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid)?
Yes, KEHONG BIO provides custom synthesis services for Tetrajodterephthalsaure-bis-(2-carboxybutyl-amid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.