![4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid structure](/static/products/886/886502-01-8.png)
4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid
TL;DR: 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid (CAS 886502-01-8) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxo-2H-1,3-benzoxazin-3-yl)butanoic acid
Also Known As: 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid, 4-Oxo-2H-1,3-benzoxazine-3(4H)-butanoic acid, 4-(4-oxo-2H-1,3-benzoxazin-3-yl)butanoic acid, 4-(4-Oxo-2H-1,3-benzoxazin-3(4H)-yl)butanoic acid, 4-(4-Oxo-4H-benzo[e][1,3]oxazin-3-yl)-butyric acid
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.3435 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 443.8867 |
Chemical Identifiers
| CAS Number | 886502-01-8 |
|---|---|
| SMILES | C1N(C(=O)C2=CC=CC=C2O1)CCCC(=O)O |
Product Overview
4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid (CAS 886502-01-8), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 4-(4-oxo-2H-1,3-benzoxazin-3-yl)butanoic acid.
Chemical Property Profile of 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid
Property Insights of 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid
The XLogP value of 1.3435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-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-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid?
The CAS number of 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid is 886502-01-8.
What is the molecular formula of 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid?
The molecular formula of 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid is C12H13NO4.
What is the molecular weight of 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid?
The molecular weight of 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid is 235.08 g/mol.
Where can I buy 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid?
You can request a quote for 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-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-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.