2-(4-Nitrophenyl)-4H-chromen-4-one , CAS No.19725-49-6

CAS: 19725-49-6 Cat. No.: N668338 Molecular Weight: 267.24
AVAILABLE TO ORDER
Synonyms
2-(4-Nitrophenyl)-4H-chromen-4-one | 4'-Nitroflavone | 4l0t | 4H-1-Benzopyran-4-one, 2-(4-nitrophenyl)- | Oprea1_401208 | DTXSID40347522 | CKSVYVHLZNMXLX-UHFFFAOYSA-N | 2-(4-Nitro-phenyl)-chromen-4-one | BDBM50011421 | AKOS001041826 | 2-(4-Nitrophenyl)-4H
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
N668338-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
N668338-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-(4-Nitrophenyl)-4H-chromen-4-one | 4'-Nitroflavone | 4l0t | 4H-1-Benzopyran-4-one, 2-(4-nitrophenyl)- | Oprea1_401208 | DTXSID40347522 | CKSVYVHLZNMXLX-UHFFFAOYSA-N | 2-(4-Nitro-phenyl)-chromen-4-one | BDBM50011421 | AKOS001041826 | 2-(4-Nitrophenyl)-4H
Storage
Room temperature
Product Properties
ALogP3.4
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
IUPAC Name2-(4-nitrophenyl)chromen-4-one
InChIKeyCKSVYVHLZNMXLX-UHFFFAOYSA-N
INCHI1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
Isomeric SMILES C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Molecular Weight 267.24
Reaxy-Rn 243734
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=243734&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassFlavonoids
SubclassFlavones
Intermediate Tree Nodes Not available
Direct ParentFlavones
Alternative Parents Chromones  Nitrobenzenes  Nitroaromatic compounds  Pyranones and derivatives  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Flavone - Chromone - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TNKS Tchem Tankyrase-1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TNKS2 Tchem Tankyrase-2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNKS Tchem Tankyrase-1 (1241 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNKS2 Tchem Tankyrase-2 (1531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK2B Tbio Casein kinase II (1406 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
NA Neuraminidase (1107 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Influenza A virus (11224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gabrp GABA-A receptor; anion channel (5731 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight267.240 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass267.053 Da
Monoisotopic Mass267.053 Da
Topological Polar Surface Area72.100 Ų
Heavy Atom Count20
Formal Charge0
Complexity432.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.