![1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid structure](/static/products/1003/100380-25-4.webp)
1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid
TL;DR: 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid (CAS 100380-25-4) is a chemical compound with molecular formula C13H16ClNO2 and molecular weight 253.08696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloroanilino)cyclohexane-1-carboxylic acid
Also Known As: 1-[(4-chlorophenyl)amino]cyclohexanecarboxylic acid, 1-((4-chlorophenyl)amino)cyclohexanecarboxylic acid, 1-[(4-chlorophenyl)amino]cyclohexane-1-carboxylic Acid, 1-(4-chloroanilino)cyclohexane-1-carboxylic acid, 1-(4-Chlor-anilino)-cyclohexan-carbonsaeure
Technical Specifications
| Molecular Formula | C13H16ClNO2 |
| Molecular Weight | 253.08696 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.08696 Da |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
| SMILES | C1CCC(CC1)(C(=O)O)NC2=CC=C(C=C2)Cl |
| InChIKey | SKCWLQLTAYBHQB-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid
Property Insights of 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid
The XLogP value of 3.7 indicates that 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic 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
What is the CAS number of 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid?
The CAS number of 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid is 100380-25-4.
What is the molecular formula of 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid?
The molecular formula of 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid is C13H16ClNO2.
What is the molecular weight of 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid?
The molecular weight of 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid is 253.08696 g/mol.
Where can I buy 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid?
You can request a quote for 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-[(4-Chlorophenyl)amino]cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.