3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid
TL;DR: 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid (CAS 143651-44-9) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid
Also Known As: TA 3037A, TA-3037A, 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid, 2H-1,4-Benzoxazine-5-carboxylicacid, 3,4-dihydro-2-oxo-3-(phenylmethylene)-, (3Z)-, (Z)-3,4-Dihydro-2-oxo-3-(phenylmethylene)-2H-1,4-benzoxazine-5-carboxylic acid
Technical Specifications
| Molecular Formula | C16H11NO4 |
| Molecular Weight | 281.06882 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06882 Da |
| Heavy Atoms | 21 |
| Complexity | 453.0 |
| SMILES | C1=CC=C(C=C1)C=C2C(=O)OC3=CC=CC(=C3N2)C(=O)O |
| InChIKey | INMSMQQFIAUCNQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid
Property Insights of 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid
The XLogP value of 3.1 indicates that 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid. Following Lipinski's Rule of Five, 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid has 2 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 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
The CAS number of 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid is 143651-44-9.
What is the molecular formula of 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
The molecular formula of 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid is C16H11NO4.
What is the molecular weight of 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
The molecular weight of 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid is 281.06882 g/mol.
Where can I buy 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
You can request a quote for 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.