N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide
TL;DR: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide (CAS 848069-92-1) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide
Also Known As: N-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)-2-propenamide, N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 3.408 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 831.9662 |
Chemical Identifiers
| CAS Number | 848069-92-1 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)NC(=O)C=CC3=CC=CC=C3[N+](=O)[O-])OC1 |
Product Overview
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide (CAS 848069-92-1), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide.
Chemical Property Profile of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide
Property Insights of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide
The XLogP value of 3.408 indicates that N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 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 N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide?
The CAS number of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide is 848069-92-1.
What is the molecular formula of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide?
The molecular formula of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide is C18H16N2O5.
What is the molecular weight of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide?
The molecular weight of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide is 340.11 g/mol.
Where can I buy N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide?
You can request a quote for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.