(E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide
TL;DR: (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide (CAS 899952-39-7) is a chemical compound with molecular formula C18H14N4O4 and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-nitrophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]prop-2-enamide
Also Known As: VU0496639-1, F2758-0152, (E)-3-(4-nitrophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]prop-2-enamide, (2E)-3-(4-nitrophenyl)-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]prop-2-enamide, (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide
| Molecular Formula | C18H14N4O4 |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 2.1609 |
| Topological Polar Surface Area | 117.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1015 |
| Heavy Atoms | 26 |
| Complexity | 1054.7242 |
Chemical Identifiers
| CAS Number | 899952-39-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide (CAS 899952-39-7), with molecular formula C18H14N4O4 and molecular weight 350.10 g/mol. IUPAC: (E)-3-(4-nitrophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]prop-2-enamide.
Chemical Property Profile of (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide
Property Insights of (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide
The XLogP value of 2.1609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide. The TPSA of 117.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide. Following Lipinski's Rule of Five, (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide has 2 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 (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide?
The CAS number of (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide is 899952-39-7.
What is the molecular formula of (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide?
The molecular formula of (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide is C18H14N4O4.
What is the molecular weight of (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide?
The molecular weight of (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide is 350.10 g/mol.
Where can I buy (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide?
You can request a quote for (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-nitrophenyl)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.