3-(4-nitrophenyl)-2H-chromen-2-one
TL;DR: 3-(4-nitrophenyl)-2H-chromen-2-one (CAS 25698-61-7) is a chemical compound with molecular formula C15H9NO4 and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)chromen-2-one
Also Known As: 3-(4-nitrophenyl)-2H-chromen-2-one, 3-(4-nitrophenyl)chromen-2-one, 3-(4-nitrophenyl)coumarin, Maybridge1_005704, 3-(4'-nitrophenyl)coumarin
| Molecular Formula | C15H9NO4 |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.05316 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 25698-61-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | GATDYELJYSMQPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-nitrophenyl)-2H-chromen-2-one (CAS 25698-61-7), with molecular formula C15H9NO4 and molecular weight 267.05 g/mol. IUPAC: 3-(4-nitrophenyl)chromen-2-one.
Chemical Property Profile of 3-(4-nitrophenyl)-2H-chromen-2-one
Property Insights of 3-(4-nitrophenyl)-2H-chromen-2-one
The XLogP value of 3.4 indicates that 3-(4-nitrophenyl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 4 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 3-(4-nitrophenyl)-2H-chromen-2-one?
The CAS number of 3-(4-nitrophenyl)-2H-chromen-2-one is 25698-61-7.
What is the molecular formula of 3-(4-nitrophenyl)-2H-chromen-2-one?
The molecular formula of 3-(4-nitrophenyl)-2H-chromen-2-one is C15H9NO4.
What is the molecular weight of 3-(4-nitrophenyl)-2H-chromen-2-one?
The molecular weight of 3-(4-nitrophenyl)-2H-chromen-2-one is 267.05 g/mol.
Where can I buy 3-(4-nitrophenyl)-2H-chromen-2-one?
You can request a quote for 3-(4-nitrophenyl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrophenyl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.