1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid
TL;DR: 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid (CAS 866155-55-7) is a chemical compound with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-2,6-dinitroanilino)cyclohexane-1-carboxylic acid
Also Known As: 1-(4-methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid, 1-(4-methyl-2,6-dinitroanilino)cyclohexane-1-carboxylic acid, 1-[(4-methyl-2,6-dinitrophenyl)amino]cyclohexane-1-carboxylic acid, 1-[(4-methyl-2,6-dinitrophenyl)amino]cyclohexane-1-carboxylicacid, 1-[(4-methyl-2,6-dinitro-phenyl)amino]cyclohexane-1-carboxylic Acid
| Molecular Formula | C14H17N3O6 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 3.01082 |
| Topological Polar Surface Area | 135.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.11172 |
| Heavy Atoms | 23 |
| Complexity | 631.4716 |
Chemical Identifiers
| CAS Number | 866155-55-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])NC2(CCCCC2)C(=O)O)[N+](=O)[O-] |
Product Overview
1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid (CAS 866155-55-7), with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol. IUPAC: 1-(4-methyl-2,6-dinitroanilino)cyclohexane-1-carboxylic acid.
Chemical Property Profile of 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid
Property Insights of 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid
The XLogP value of 3.01082 indicates that 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 6 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 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid?
The CAS number of 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid is 866155-55-7.
What is the molecular formula of 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid?
The molecular formula of 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid is C14H17N3O6.
What is the molecular weight of 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid?
The molecular weight of 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid is 323.11 g/mol.
Where can I buy 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid?
You can request a quote for 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-2,6-dinitroanilino)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.