Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-
TL;DR: Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo- (CAS 67011-43-2) is a chemical compound with molecular formula C17H21I3N2O4 and molecular weight 697.8635 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetamido-2,4,6-triiodo-5-(octanoylamino)benzoic acid
Also Known As: 3- -5- -2,4,6-triiodobenzoicacid, 3-Acetamido-5-octanamido-2,4,6-triiodobenzoic acid, BENZOIC ACID, 3-ACETAMIDO-5-OCTANAMIDO-2,4,6-TRIIODO-, 4-14-00-01310 (Beilstein Handbook Reference), 3-acetamido-2,4,6-triiodo-5-octanamidobenzoic acid
Technical Specifications
| Molecular Formula | C17H21I3N2O4 |
| Molecular Weight | 697.8635 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 697.8635 Da |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
| SMILES | CCCCCCCC(=O)NC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I |
| InChIKey | NUPMNAQVWKUZSZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-
Property Insights of Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-
The XLogP value of 4.7 indicates that Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-. Following Lipinski's Rule of Five, Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-?
The CAS number of Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo- is 67011-43-2.
What is the molecular formula of Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-?
The molecular formula of Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo- is C17H21I3N2O4.
What is the molecular weight of Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-?
The molecular weight of Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo- is 697.8635 g/mol.
Where can I buy Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-?
You can request a quote for Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.