![4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid structure](/static/products/4969/496913-52-1.webp)
4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid
TL;DR: 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid (CAS 496913-52-1) is a chemical compound with molecular formula C16H20BrNO3 and molecular weight 353.06265 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-(3-cyclohexylpropanoylamino)benzoic acid
Also Known As: 4-bromo-2-(3-cyclohexylpropanoylamino)benzoic Acid, 4-bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid, AN-979/40712253, 4-BROMO-2-(3-CYCLOHEXYLPROPANAMIDO)BENZOIC ACID
Technical Specifications
| Molecular Formula | C16H20BrNO3 |
| Molecular Weight | 353.06265 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.06265 Da |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
| SMILES | C1CCC(CC1)CCC(=O)NC2=C(C=CC(=C2)Br)C(=O)O |
| InChIKey | VQYNAVSCVBERIY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid
Property Insights of 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid
The XLogP value of 4.9 indicates that 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic 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 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic 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 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid?
The CAS number of 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid is 496913-52-1.
What is the molecular formula of 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid?
The molecular formula of 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid is C16H20BrNO3.
What is the molecular weight of 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid?
The molecular weight of 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid is 353.06265 g/mol.
Where can I buy 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid?
You can request a quote for 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-[(3-cyclohexylpropanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.