Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-
TL;DR: Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo- (CAS 19719-03-0) is a chemical compound with molecular formula C13H13I3N2O4 and molecular weight 641.8009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetamido-5-(butanoylamino)-2,4,6-triiodobenzoic acid
Also Known As: 3-Acetamido-5-butyramido-2,4,6-triiodobenzoic acid, BENZOIC ACID, 3-ACETAMIDO-5-BUTYRAMIDO-2,4,6-TRIIODO-, 4-14-00-01309 (Beilstein Handbook Reference), 3-acetamido-5-(butanoylamino)-2,4,6-triiodobenzoic acid, 3-Acetamido-5-butanamido-2,4,6-triiodobenzoic acid
Technical Specifications
| Molecular Formula | C13H13I3N2O4 |
| Molecular Weight | 641.8009 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 641.8009 Da |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
| SMILES | CCCC(=O)NC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I |
| InChIKey | IPNDNFJSENPAHV-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-
Property Insights of Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-. Following Lipinski's Rule of Five, Benzoic acid, 3-acetamido-5-butyramido-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-butyramido-2,4,6-triiodo-?
The CAS number of Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo- is 19719-03-0.
What is the molecular formula of Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-?
The molecular formula of Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo- is C13H13I3N2O4.
What is the molecular weight of Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-?
The molecular weight of Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo- is 641.8009 g/mol.
Where can I buy Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-?
You can request a quote for Benzoic acid, 3-acetamido-5-butyramido-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-butyramido-2,4,6-triiodo-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.