4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid
TL;DR: 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid (CAS 26518-87-6) is a chemical compound with molecular formula C12H9NO5 and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid
Also Known As: 4-oxo-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-butenoic acid, 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid, 4-Oxo-4-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)but-2-enoic acid, 2-Butenoic acid, 4-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-4-oxo-, 4-OXO-4-(3-OXO-2,4-DIHYDRO-1,4-BENZOXAZIN-6-YL)BUT-2-ENOIC ACID
| Molecular Formula | C12H9NO5 |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 0.841 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.04807 |
| Heavy Atoms | 18 |
| Complexity | 561.58624 |
Chemical Identifiers
| CAS Number | 26518-87-6 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C=CC(=O)O |
Product Overview
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid (CAS 26518-87-6), with molecular formula C12H9NO5 and molecular weight 247.05 g/mol. IUPAC: 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid.
Chemical Property Profile of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid
Property Insights of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid
The XLogP value of 0.841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid. Following Lipinski's Rule of Five, 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic 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
Frequently Asked Questions
What is the CAS number of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid?
The CAS number of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid is 26518-87-6.
What is the molecular formula of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid?
The molecular formula of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid is C12H9NO5.
What is the molecular weight of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid?
The molecular weight of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid is 247.05 g/mol.
Where can I buy 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid?
You can request a quote for 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.