(E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one
TL;DR: (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one (CAS 140399-54-8) is a chemical compound with molecular formula C18H11NO5 and molecular weight 321.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]chromen-2-one
Also Known As: 3-(3-Nitro-trans-cinnamoyl)coumarin, 3-[3-(3-Nitro-phenyl)-acryloyl]-chromen-2-one, (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one, 3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]chromen-2-one, 3-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-2H-chromen-2-one
Technical Specifications
| Molecular Formula | C18H11NO5 |
| Molecular Weight | 321.06372 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.06372 Da |
| Heavy Atoms | 24 |
| Complexity | 589.0 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | DSFXIONAUCAVFJ-CMDGGOBGSA-N |
Chemical Property Profile of (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one
Property Insights of (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one
The XLogP value of 3.7 indicates that (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one. Following Lipinski's Rule of Five, (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one?
The CAS number of (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one is 140399-54-8.
What is the molecular formula of (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one?
The molecular formula of (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one is C18H11NO5.
What is the molecular weight of (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one?
The molecular weight of (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one is 321.06372 g/mol.
Where can I buy (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one?
You can request a quote for (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-(3-(3-nitrophenyl)acryloyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.