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Solvent Red 197 - stain grade, high purity , CAS No.52372-39-1

COA

Grade & Purity:

Biological Stain

Cas Number: 52372-39-1
Molecular Weight: 381.44
MDL number: MFCD02176212
PubChem CID: 104185
PubChem SID: 504756560

In stock

Item Number

S299037

Grouped product items
SKU	Size	Availability	Price
S299037-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
S299037-25g	25g	3	$52.90
S299037-100g	100g	3	$138.90
S299037-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$481.90

Basic Description

Synonyms	SCHEMBL2390884 \| 3-(Diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile \| CS-0010663 \| EINECS 257-885-3 \| 3-(Diethylamino)-7-imino-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile \| AKOS00409057
Specifications & Purity	Biological stain
Shipped In	Normal
Grade	Biological Stain

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyranopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyranopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyranopyridines
Alternative Parents	1-benzopyrans Imidazo[1,2-a]pyridines Benzimidazoles Dialkylarylamines Pyridines and derivatives N-substituted imidazoles Imidolactams Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyran - Pyranopyridine - 1-benzopyran - Benzimidazole - Imidazo[1,2-a]pyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-substituted imidazole - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Tertiary amine - Nitrile - Carbonitrile - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504756560
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756560
IUPAC Name	17-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile
INCHI	InChI=1S/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3
InChIKey	FXFIDVQMNRVEGQ-UHFFFAOYSA-N
Smiles	CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2
Isomeric SMILES	CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2
PubChem CID	104185
Molecular Weight	381.44
Reaxy-Rn	1092311

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
L2411004	Certificate of Analysis	Dec 12, 2024	S299037
F1912134	Certificate of Analysis	Apr 11, 2023	S299037

Chemical and Physical Properties

Molecular Weight	381.400 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	381.159 Da
Monoisotopic Mass	381.159 Da
Topological Polar Surface Area	77.900 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	803.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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