3,3'-bis(3,5-dimethylphenyl)-5H,5'H,6H,6'H,7H,7'H,8H,8'H-[1,1'-binaphthalene]-2,2'-diol , CAS No.1402852-05-4

CAS: 1402852-05-4 Cat. No.: B669609 Molecular Weight: 502.7 PubChem CID: 11420692
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Storage
Room temperature
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10mg
B669609-10mg
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B669609-50mg
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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

Storage
Room temperature
Product Properties
ALogP10.3
Names and Identifiers
Canonical SmilesCC1C=C(C=C(C)C=1)C2=C(O)C(=C3C(CCCC3)=C2)C4=C5C(CCCC5)=CC(C6=CC(C)=CC(C)=C6)=C4O
IUPAC Name3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
InChIKeyRSHMDLJRFPHHRE-UHFFFAOYSA-N
INCHI1S/C36H38O2/c1-21-13-22(2)16-27(15-21)31-19-25-9-5-7-11-29(25)33(35(31)37)34-30-12-8-6-10-26(30)20-32(36(34)38)28-17-23(3)14-24(4)18-28/h13-20,37-38H,5-12H2,1-4H3
Isomeric SMILES CC1=CC(=CC(=C1)C2=C(C(=C3CCCCC3=C2)C4=C5CCCCC5=CC(=C4O)C6=CC(=CC(=C6)C)C)O)C
PubChem CID 11420692
Molecular Weight 502.7

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
SubclassPhenylnaphthalenes
Intermediate Tree Nodes Not available
Direct ParentPhenylnaphthalenes
Alternative Parents Tetralins  m-Xylenes  Phenols  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Phenylnaphthalene - Tetralin - M-xylene - Xylene - Phenol - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Cruzipain (33337 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 Weight502.700 g/mol
XLogP310.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass502.287 Da
Monoisotopic Mass502.287 Da
Topological Polar Surface Area40.500 Ų
Heavy Atom Count38
Formal Charge0
Complexity695.000
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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