Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 154365-33-0) 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.
ethyl 2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
Also Known As: Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ethyl 2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate, ethylmethyloxodihydrobenzoxazinecarboxylate, Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate, Ethyl 3,4-dihydro-2-methyl-3-oxo-2H-1,4-benzoxazine-2-carboxylate
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.3393 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 471.32837 |
Chemical Identifiers
| CAS Number | 154365-33-0 |
|---|---|
| SMILES | CCOC(=O)C1(C(=O)NC2=CC=CC=C2O1)C |
Product Overview
Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 154365-33-0), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: ethyl 2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 1.3393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate has 1 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 Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 154365-33-0.
What is the molecular formula of Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C12H13NO4.
What is the molecular weight of Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 235.08 g/mol.
Where can I buy Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.