Benzoic acid, 3-hexanamido-2,4,6-triiodo-
TL;DR: Benzoic acid, 3-hexanamido-2,4,6-triiodo- (CAS 86166-45-2) is a chemical compound with molecular formula C13H14I3NO3 and molecular weight 612.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hexanoylamino)-2,4,6-triiodobenzoic acid
Also Known As: 3-Hexanamido-2,4,6-triiodobenzoic acid, 3-Caproylamino-2,4,6-triiodobenzoic acid, BENZOIC ACID, 3-HEXANAMIDO-2,4,6-TRIIODO-, 3-(hexanoylamino)-2,4,6-triiodobenzoic acid, Benzoic acid, 2,4,6-triiodo-3-((1-oxohexyl)amino)-
| Molecular Formula | C13H14I3NO3 |
|---|---|
| Molecular Weight | 612.81 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.8108 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 86166-45-2 |
|---|---|
| SMILES | CCCCCC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I |
| InChIKey | OVXVLLCJRMBEDK-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-hexanamido-2,4,6-triiodo- (CAS 86166-45-2), with molecular formula C13H14I3NO3 and molecular weight 612.81 g/mol. IUPAC: 3-(hexanoylamino)-2,4,6-triiodobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-hexanamido-2,4,6-triiodo-
Property Insights of Benzoic acid, 3-hexanamido-2,4,6-triiodo-
The XLogP value of 4.5 indicates that Benzoic acid, 3-hexanamido-2,4,6-triiodo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-hexanamido-2,4,6-triiodo-. Following Lipinski's Rule of Five, Benzoic acid, 3-hexanamido-2,4,6-triiodo- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-hexanamido-2,4,6-triiodo-?
The CAS number of Benzoic acid, 3-hexanamido-2,4,6-triiodo- is 86166-45-2.
What is the molecular formula of Benzoic acid, 3-hexanamido-2,4,6-triiodo-?
The molecular formula of Benzoic acid, 3-hexanamido-2,4,6-triiodo- is C13H14I3NO3.
What is the molecular weight of Benzoic acid, 3-hexanamido-2,4,6-triiodo-?
The molecular weight of Benzoic acid, 3-hexanamido-2,4,6-triiodo- is 612.81 g/mol.
Where can I buy Benzoic acid, 3-hexanamido-2,4,6-triiodo-?
You can request a quote for Benzoic acid, 3-hexanamido-2,4,6-triiodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-hexanamido-2,4,6-triiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-hexanamido-2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.