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Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis- , CAS No.4081-35-0

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Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis- , CAS No.4081-35-0

COA

Cas Number: 4081-35-0
Molecular Weight: 324.4
PubChem CID: 260228

In stock

Item Number

P668200

Grouped product items
SKU	Size	Availability	Price	Qty
P668200-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
P668200-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	N,N'-Bis(salicylidene)-1,6-hexanediamine \| Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis- \| n,n-bis(salicylidene)-1,6-hexanediamine \| 2-[6-[(2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol \| N,N'-bis-(Salicylidene)-1,6-hexanediamine \| .

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass 1-hydroxy-4-unsubstituted benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes	Not available
Direct Parent	1-hydroxy-4-unsubstituted benzenoids
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Shiff bases Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Shiff base - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
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

Product Properties

ALogP	3.5

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

fabH 3-oxoacyl-[acyl-carrier-protein] synthase 3 (47 Activities)

Discover Target: fabH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-[6-[(2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
INCHI	InChI=1S/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-12,15-16,23-24H,1-2,7-8,13-14H2
InChIKey	DXVHKINVBJRBGQ-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C=NCCCCCCN=CC2=CC=CC=C2O)O
Isomeric SMILES	C1=CC=C(C(=C1)C=NCCCCCCN=CC2=CC=CC=C2O)O
Molecular Weight	324.4
Reaxy-Rn	2059585
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2059585&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	324.400 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	324.184 Da
Monoisotopic Mass	324.184 Da
Topological Polar Surface Area	65.200 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	348.000
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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