6,11-Dioxonaphtho[2,3-b]indolizine-12-carboxylic acid , CAS No.109964-49-0

CAS: 109964-49-0 Cat. No.: D668202 Molecular Weight: 291.26 PubChem CID: 261602
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Synonyms
6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylic acid | 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylic acid | NSC94226 | Oprea1_620415 | BBL029667 | BDBM50463917 | MFCD02323201 | NSC-94226 | STK801926 | AKOS005622499 | VS-09355 | 2,9-dio
Storage
Room temperature
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Size
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1mg
D668202-1mg
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5mg
D668202-5mg
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$1,999.90

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
6, 11-dioxo-6, 11-dihydrobenzo[f]pyrido[1, 2-a]indole-12-carboxylic acid | 6, 11-dioxonaphtho[2, 3-b]indolizine-12-carboxylic acid | NSC94226 | Oprea1_620415 | BBL029667 | BDBM50463917 | MFCD02323201 | NSC-94226 | STK801926 | AKOS005622499 | VS-09355 | 2, 9-dio
Storage
Room temperature
Product Properties
ALogP3.3
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C(=O)C3=C(C2=O)N4C=CC=CC4=C3C(=O)O
IUPAC Name6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylic acid
InChIKeyIWTDBHRFVHGMBT-UHFFFAOYSA-N
INCHI1S/C17H9NO4/c19-15-9-5-1-2-6-10(9)16(20)14-13(15)12(17(21)22)11-7-3-4-8-18(11)14/h1-8H,(H,21,22)
Isomeric SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N4C=CC=CC4=C3C(=O)O
PubChem CID 261602
Molecular Weight 291.26

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents Indolizines  Indoles and derivatives  Pyrrole carboxylic acids  Aryl ketones  Substituted pyrroles  Pyridines and derivatives  Vinylogous amides  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Naphthalene - Pyrrolopyridine - Indolizine - Indole or derivatives - Aryl ketone - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxylic acid - Substituted pyrrole - Pyridine - Heteroaromatic compound - Vinylogous amide - Pyrrole - Ketone - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
IDO1 Tchem Indoleamine 2,3-dioxygenase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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 Weight291.260 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass291.053 Da
Monoisotopic Mass291.053 Da
Topological Polar Surface Area75.900 Ų
Heavy Atom Count22
Formal Charge0
Complexity531.000
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
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