4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide
TL;DR: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide (CAS 5466-80-8) is a chemical compound with molecular formula C18H15FN2O6 and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide
Also Known As: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide
| Molecular Formula | C18H15FN2O6 |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.1067 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.0914 |
| Heavy Atoms | 27 |
| Complexity | 914.72003 |
Chemical Identifiers
| CAS Number | 5466-80-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] |
Product Overview
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide (CAS 5466-80-8), with molecular formula C18H15FN2O6 and molecular weight 374.09 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide
Property Insights of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide
The XLogP value of 3.1067 indicates that 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide has 1 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 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide is 5466-80-8.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide is C18H15FN2O6.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide is 374.09 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluoro-3-nitrophenyl)-4-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.