![4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid structure](/static/products/156/1564289-00-4.webp)
4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid
TL;DR: 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid (CAS 1564289-00-4) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-carboxy-2,2,3-trimethylcyclopentanecarbonyl)amino]benzoic acid
Also Known As: 4-{[(3-carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid, 4-((1S,3R)-3-carboxy-2,2,3-trimethylcyclopentane-1-carboxamido)benzoic acid, 4-[(3-carboxy-2,2,3-trimethylcyclopentyl)carbonylamino]benzoic acid, 4-[(3-carboxy-2,2,3-trimethyl-cyclopentanecarbonyl)amino]benzoic Acid, 4-[(3-carboxy-2,2,3-trimethylcyclopentanecarbonyl)amino]benzoic acid
Technical Specifications
| Molecular Formula | C17H21NO5 |
| Molecular Weight | 319.14197 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.14197 Da |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
| SMILES | CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=C(C=C2)C(=O)O)C |
| InChIKey | CJJSEBJKIPJYCU-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid
Property Insights of 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 5 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-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid?
The CAS number of 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid is 1564289-00-4.
What is the molecular formula of 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid?
The molecular formula of 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid is C17H21NO5.
What is the molecular weight of 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid?
The molecular weight of 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid is 319.14197 g/mol.
Where can I buy 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid?
You can request a quote for 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-{[(3-Carboxy-2,2,3-trimethylcyclopentyl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.