Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 22244-22-0) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Also Known As: ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, ETHYL 3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLATE, ethyl benzomorpholine-2-carboxylate, ethyldihydrobenzoxazinecarboxylate, 3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic acid ethyl ester
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 22244-22-0 |
|---|---|
| SMILES | CCOC(=O)C1CNC2=CC=CC=C2O1 |
| InChIKey | FGYXHLIMQKWPIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 22244-22-0), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. With a topological polar surface area (TPSA) of 47.6 Ų, Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 22244-22-0.
What is the molecular formula of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C11H13NO3.
What is the molecular weight of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 207.09 g/mol.
Where can I buy Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for Ethyl 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 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.