(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
TL;DR: (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid (CAS 106660-45-1) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid
Also Known As: (3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid, 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid, 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)acetic acid, (3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl)-acetic acid, 8325AC
Technical Specifications
| Molecular Formula | C10H9NO4 |
| Molecular Weight | 207.05316 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05316 Da |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
| SMILES | C1=CC=C2C(=C1)NC(=O)C(O2)CC(=O)O |
| InChIKey | GBWCBWJRILQTBI-UHFFFAOYSA-N |
Chemical Property Profile of (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
Property Insights of (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid. Following Lipinski's Rule of Five, (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid has 2 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-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid?
The CAS number of (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid is 106660-45-1.
What is the molecular formula of (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid?
The molecular formula of (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid is C10H9NO4.
What is the molecular weight of (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid?
The molecular weight of (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid is 207.05316 g/mol.
Where can I buy (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid?
You can request a quote for (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.