2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- (CAS 91119-62-9) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-6-[(E)-C-methyl-N-prop-2-ynoxycarbonimidoyl]-1,4-benzoxazin-3-one
Also Known As: 4-Ethyl-6-(1-((2-propynyloxy)imino)ethyl)-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-BENZOXAZIN-3(4H)-ONE, 4-ETHYL-6-(1-((2-PROPYNYLOXY)IMINO)ETHYL)-, RefChem:1065109, BRN 4513043
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.8057 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 587.27167 |
Chemical Identifiers
| CAS Number | 91119-62-9 |
|---|---|
| SMILES | CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OCC#C)/C |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- (CAS 91119-62-9), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 4-ethyl-6-[(E)-C-methyl-N-prop-2-ynoxycarbonimidoyl]-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-
The XLogP value of 1.8057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-. With a topological polar surface area (TPSA) of 51.13 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- 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 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- is 91119-62-9.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- is C15H16N2O3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- is 272.12 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.