4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
TL;DR: 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid (CAS 897771-18-5) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid
Also Known As: ChemDiv3_016627, 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid, 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid, 4H-1,4-benzoxazine-4-butanoic acid, 2,3-dihydro-6-methyl-3-oxo-, 4-(2,3-Dihydro-6-methyl-3-oxobenzo[b][1,4]oxazin-4-yl)butanoic acid
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.58522 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 483.87964 |
Chemical Identifiers
| CAS Number | 897771-18-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)O |
Product Overview
4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid (CAS 897771-18-5), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid.
Chemical Property Profile of 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
Property Insights of 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
The XLogP value of 1.58522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic 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-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
The CAS number of 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid is 897771-18-5.
What is the molecular formula of 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
The molecular formula of 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid is C13H15NO4.
What is the molecular weight of 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
The molecular weight of 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid is 249.10 g/mol.
Where can I buy 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
You can request a quote for 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.