Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-
TL;DR: Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- (CAS 114724-42-4) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetic acid
Also Known As: KST-1A0687, [2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetic acid, Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-, 2-(2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenyl)acetic acid, 2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetic Acid
Technical Specifications
| Molecular Formula | C16H12N2O3 |
| Molecular Weight | 280.08478 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.08478 Da |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
| SMILES | C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3CC(=O)O |
| InChIKey | NGYBITGMQVARCH-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-
Property Insights of Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- has 1 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 Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-?
The CAS number of Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- is 114724-42-4.
What is the molecular formula of Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-?
The molecular formula of Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- is C16H12N2O3.
What is the molecular weight of Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-?
The molecular weight of Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- is 280.08478 g/mol.
Where can I buy Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-?
You can request a quote for Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.