2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid
TL;DR: 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid (CAS 91119-98-1) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
Also Known As: 6-Acetyl-2,3-dihydro-alpha-methyl-3-oxo-4H-1,4-benzoxazine-4-acetic acid, 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid, 4H-1,4-BENZOXAZINE-4-ACETIC ACID, 6-ACETYL-2,3-DIHYDRO-alpha-METHYL-3-OXO-, 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid, 2-(6-acetyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoic acid
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 91119-98-1 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)COC2=C1C=C(C=C2)C(=O)C |
| InChIKey | GCDTUDIFXGRFCU-UHFFFAOYSA-N |
Product Overview
2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid (CAS 91119-98-1), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid.
Chemical Property Profile of 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid
Property Insights of 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid 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
Frequently Asked Questions
What is the CAS number of 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid?
The CAS number of 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid is 91119-98-1.
What is the molecular formula of 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid?
The molecular formula of 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid is C13H13NO5.
What is the molecular weight of 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid?
The molecular weight of 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid is 263.08 g/mol.
Where can I buy 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid?
You can request a quote for 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.