![ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate structure](/static/products/4782/478259-96-0.webp)
ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
TL;DR: ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate (CAS 478259-96-0) is a chemical compound with molecular formula C19H18N2O6 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(3-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
Also Known As: Bionet1_004805, ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate, ethyl 2-[4-(3-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate, ethyl2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
| Molecular Formula | C19H18N2O6 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 2.9558 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1165 |
| Heavy Atoms | 27 |
| Complexity | 882.00854 |
Chemical Identifiers
| CAS Number | 478259-96-0 |
|---|---|
| SMILES | CCOC(=O)CC1COC2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate (CAS 478259-96-0), with molecular formula C19H18N2O6 and molecular weight 370.12 g/mol. IUPAC: ethyl 2-[4-(3-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate.
Chemical Property Profile of ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
Property Insights of ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
The XLogP value of 2.9558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate has 0 hydrogen bond donor(s) and 6 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-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The CAS number of ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is 478259-96-0.
What is the molecular formula of ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The molecular formula of ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is C19H18N2O6.
What is the molecular weight of ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
The molecular weight of ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate is 370.12 g/mol.
Where can I buy ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
You can request a quote for ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[4-(3-nitrobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.