2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one
TL;DR: 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one (CAS 13212-61-8) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-4-hydroxy-1,4-benzoxazin-3-one
Also Known As: 2-Ethyl-D-DIBOA, 2-ethyl-4-hydroxy-1,4-benzoxazin-3-one, 2-Ethyl-4-hydroxy-2,3-dihydro-4H-1,4-benzooxazine-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 2-ethyl-4-hydroxy-, 2-Ethyl-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one
Technical Specifications
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.0739 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0739 Da |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
| SMILES | CCC1C(=O)N(C2=CC=CC=C2O1)O |
| InChIKey | VVTRVUOMIPLROC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one
Property Insights of 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one 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
What is the CAS number of 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The CAS number of 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one is 13212-61-8.
What is the molecular formula of 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The molecular formula of 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one is C10H11NO3.
What is the molecular weight of 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one?
The molecular weight of 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one is 193.0739 g/mol.
Where can I buy 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one?
You can request a quote for 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-4-hydroxy-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.