![1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid structure](/static/products/4391/439111-39-4.webp)
1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid
TL;DR: 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid (CAS 439111-39-4) is a chemical compound with molecular formula C18H23Cl2NO3 and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,5-dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexane-1-carboxylic acid
Also Known As: 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid, 7K-025, 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexane-1-carboxylic acid, 1-{[(3,5-dichlorophenyl)carbamoyl]methyl}-3,3,5-trimethylcyclohexane-1-carboxylic acid, 1-[(3,5-dichlorophenyl)carbamoylmethyl]-3,3,5-trimethyl-cyclohexane-1-carboxylic Acid
| Molecular Formula | C18H23Cl2NO3 |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 5.2392 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.1055 |
| Heavy Atoms | 24 |
| Complexity | 639.414 |
Chemical Identifiers
| CAS Number | 439111-39-4 |
|---|---|
| SMILES | CC1CC(CC(C1)(CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O)(C)C |
Product Overview
1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid (CAS 439111-39-4), with molecular formula C18H23Cl2NO3 and molecular weight 371.11 g/mol. IUPAC: 1-[2-(3,5-dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid
Property Insights of 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid
The XLogP value of 5.2392 indicates that 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic 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 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid?
The CAS number of 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid is 439111-39-4.
What is the molecular formula of 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid?
The molecular formula of 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid is C18H23Cl2NO3.
What is the molecular weight of 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid?
The molecular weight of 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid is 371.11 g/mol.
Where can I buy 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid?
You can request a quote for 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(3,5-Dichloroanilino)-2-oxoethyl]-3,3,5-trimethylcyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.