3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
TL;DR: 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CAS 109888-66-6) is a chemical compound with molecular formula C10H7Cl2NO3 and molecular weight 258.9803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Also Known As: 3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid, BAS 09528969, 3-(3,4-dichlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid, 3-(3,4-dichlorophenyl)-2-isoxazoline-5-carboxylic acid, 3-(4-trifluoromethylphenyl)-2-isoxazoline-5-carboxylic acid
Technical Specifications
| Molecular Formula | C10H7Cl2NO3 |
| Molecular Weight | 258.9803 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.9803 Da |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
| SMILES | C1C(ON=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)O |
| InChIKey | NDHFMONJGUAVQS-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Property Insights of 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 58.9 Ų, 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-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-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The CAS number of 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is 109888-66-6.
What is the molecular formula of 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The molecular formula of 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is C10H7Cl2NO3.
What is the molecular weight of 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The molecular weight of 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is 258.9803 g/mol.
Where can I buy 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
You can request a quote for 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.