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CAS 309269-73-6 S-2,2′-dihydroxy-α,α,α’,α’-tetraphenyl-[1,1′-Binaphthalene]-3,3′-diMethanol molecular structure lightbox
CAS RN: 309269-73-6

S-2,2′-dihydroxy-α,α,α’,α’-tetraphenyl-[1,1′-Binaphthalene]-3,3′-diMethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS309269-73-6
  • Purity/Analytical Methods: >99.0%
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309269-73-6 / 3-[hydroxy(diphenyl)methyl]-1-[2-hydroxy-3-[hydroxy(diphenyl)methyl]naphthalen-1-yl]naphthalen-2-ol

Standard CAS: 309269-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
309269-73-6
Multi CAS
No
Molecular Formula
C46H34O4
Molecular Weight
650.800000
Exact Mass
650.245710
InChI
InChI=1S/C46H34O4/c47-43-39(45(49,33-19-5-1-6-20-33)34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)41(43)42-38-28-16-14-18-32(38)30-40(44(42)48)46(50,35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-30,47-50H
InChIKey
MISCIOYWBVJQPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
44
Fraction Csp3
0.04
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
200.19
TPSA
80.92

LogP / Solubility

WLOGP
9.64
MLOGP
8.54
XLogP3
11
Consensus LogP
9.73
Log S (ESOL)
-10.14
Class (ESOL)
Insoluble
Log S (Ali)
-11.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.15

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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