![5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid structure](/static/products/886/886501-95-7.png)
5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid
TL;DR: 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid (CAS 886501-95-7) 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.
5-(4-oxo-2H-1,3-benzoxazin-3-yl)pentanoic acid
Also Known As: 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid, 4-Oxo-2H-1,3-benzoxazine-3(4H)-pentanoic acid, 5-(4-oxo-2H-1,3-benzoxazin-3-yl)pentanoic acid, 5-(4-Oxo-4H-benzo[e][1,3]oxazin-3-yl)-pentanoic acid, 5-(4-Oxo-2H-1,3-benzoxazin-3(4H)-yl)pentanoic acid
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.7336 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 458.0594 |
Chemical Identifiers
| CAS Number | 886501-95-7 |
|---|---|
| SMILES | C1N(C(=O)C2=CC=CC=C2O1)CCCCC(=O)O |
Product Overview
5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid (CAS 886501-95-7), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 5-(4-oxo-2H-1,3-benzoxazin-3-yl)pentanoic acid.
Chemical Property Profile of 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid
Property Insights of 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid
The XLogP value of 1.7336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid. Following Lipinski's Rule of Five, 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic 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 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid?
The CAS number of 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid is 886501-95-7.
What is the molecular formula of 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid?
The molecular formula of 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid is C13H15NO4.
What is the molecular weight of 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid?
The molecular weight of 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid is 249.10 g/mol.
Where can I buy 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid?
You can request a quote for 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.