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CAS 756491-53-9 (R)-3,3′-Bis(3,5-di-tert-butylphenyl)-[1,1′-binapthalene]-2,2′-diol molecular structure lightbox
CAS RN: 756491-53-9

(R)-3,3′-Bis(3,5-di-tert-butylphenyl)-[1,1′-binapthalene]-2,2′-diol

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 100mg Out of stock Inquiry
Batchno.20260323 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-185083
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 756491-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

756491-53-9 / 3-(3,5-ditert-butylphenyl)-1-[3-(3,5-ditert-butylphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

Standard CAS: 756491-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
756491-53-9
Multi CAS
No
Molecular Formula
C48H54O2
Molecular Weight
662.900000
Exact Mass
662.412381
InChI
InChI=1S/C48H54O2/c1-45(2,3)33-21-31(22-34(27-33)46(4,5)6)39-25-29-17-13-15-19-37(29)41(43(39)49)42-38-20-16-14-18-30(38)26-40(44(42)50)32-23-35(47(7,8)9)28-36(24-32)48(10,11)12/h13-28,49-50H,1-12H3
InChIKey
YJEFENFAQSHVFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
32
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
215.89
TPSA
40.46

LogP / Solubility

WLOGP
13.6
MLOGP
12.02
XLogP3
15.3
Consensus LogP
13.64
Log S (ESOL)
-12.79
Class (ESOL)
Insoluble
Log S (Ali)
-14.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.89

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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