methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
TL;DR: methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate (CAS 450358-64-2) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
Also Known As: methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate, methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate, BAS 07153605, Methyl 2-(3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)acetate, methyl 2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.585 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 429.74768 |
Chemical Identifiers
| CAS Number | 450358-64-2 |
|---|---|
| SMILES | COC(=O)CN1C(=O)COC2=CC=CC=C21 |
Product Overview
methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate (CAS 450358-64-2), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.
Chemical Property Profile of methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Property Insights of methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
The XLogP value of 0.585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate. With a topological polar surface area (TPSA) of 55.84 Ų, methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate has 0 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 methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The CAS number of methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is 450358-64-2.
What is the molecular formula of methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The molecular formula of methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is C11H11NO4.
What is the molecular weight of methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
The molecular weight of methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate is 221.07 g/mol.
Where can I buy methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
You can request a quote for methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.