3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
TL;DR: 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid (CAS 109888-59-7) is a chemical compound with molecular formula C10H8ClNO3 and molecular weight 225.01927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Also Known As: 3-(4-chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid, 3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid, 3-(4-Chloro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid, 8656AC, BAS 09529458
Technical Specifications
| Molecular Formula | C10H8ClNO3 |
| Molecular Weight | 225.01927 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.01927 Da |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
| SMILES | C1C(ON=C1C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | FFHKAMWMJDAWMZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
Property Insights of 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 58.9 Ų, 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid?
The CAS number of 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid is 109888-59-7.
What is the molecular formula of 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid?
The molecular formula of 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid is C10H8ClNO3.
What is the molecular weight of 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid?
The molecular weight of 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid is 225.01927 g/mol.
Where can I buy 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid?
You can request a quote for 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.