4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 92288-75-0) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Also Known As: 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 4-ACETYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLIC ACID, 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, 1-Bromo-1,2-difluoro-1,4-pentadiene, 4-acetyl-3,4-dihydro-2h-benzo[1,4]oxazine-2-carboxylic acid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.8851 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 443.36563 |
Chemical Identifiers
| CAS Number | 92288-75-0 |
|---|---|
| SMILES | CC(=O)N1CC(OC2=CC=CC=C21)C(=O)O |
Product Overview
4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 92288-75-0), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
Chemical Property Profile of 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 0.8851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. Following Lipinski's Rule of Five, 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 92288-75-0.
What is the molecular formula of 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is C11H11NO4.
What is the molecular weight of 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 221.07 g/mol.
Where can I buy 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.