![2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid structure](/static/products/6341/634155-06-9.webp)
2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid
TL;DR: 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid (CAS 634155-06-9) is a chemical compound with molecular formula C15H16INO3 and molecular weight 385.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-iodo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoic acid
Also Known As: 2-[(2-iodo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid, 2-[(2-iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid, 2-[(2-iodo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoic acid, 2-[(2-iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzoic Acid, 2-[(2-iodo-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]benzoic acid
| Molecular Formula | C15H16INO3 |
|---|---|
| Molecular Weight | 385.02 g/mol |
| LogP | 3.8324 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.0175 |
| Heavy Atoms | 20 |
| Complexity | 604.8911 |
Chemical Identifiers
| CAS Number | 634155-06-9 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)I)NC2=CC=CC=C2C(=O)O)C |
Product Overview
2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid (CAS 634155-06-9), with molecular formula C15H16INO3 and molecular weight 385.02 g/mol. IUPAC: 2-[(2-iodo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoic acid.
Chemical Property Profile of 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid
Property Insights of 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid
The XLogP value of 3.8324 indicates that 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid 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 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid. Following Lipinski's Rule of Five, 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid?
The CAS number of 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid is 634155-06-9.
What is the molecular formula of 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid?
The molecular formula of 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid is C15H16INO3.
What is the molecular weight of 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid?
The molecular weight of 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid is 385.02 g/mol.
Where can I buy 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid?
You can request a quote for 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Iodo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.