Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
TL;DR: Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate (CAS 604756-32-3) 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.
ethyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate
Also Known As: ETHYL 3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-CARBOXYLATE, ethyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate, ETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE, 2H-1,4-BENZOXAZINE-6-CARBOXYLIC ACID, 3,4-DIHYDRO-3-OXO-, ETHYL ESTER, Ethyl 9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxylate
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.1942 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 441.61075 |
Chemical Identifiers
| CAS Number | 604756-32-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)OCC(=O)N2 |
Product Overview
Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate (CAS 604756-32-3), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: ethyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate.
Chemical Property Profile of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
Property Insights of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
The XLogP value of 1.1942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-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 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The CAS number of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is 604756-32-3.
What is the molecular formula of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The molecular formula of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is C11H11NO4.
What is the molecular weight of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The molecular weight of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is 221.07 g/mol.
Where can I buy Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
You can request a quote for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.