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CAS 394737-30-5 R-3,3′-bis(2,4,6-triMethylphenyl)-1,1′-Binaphthalene]-2,2′-diol molecular structure lightbox
CAS RN: 394737-30-5

R-3,3′-bis(2,4,6-triMethylphenyl)-1,1′-Binaphthalene]-2,2′-diol

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250501 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250525 100mg In stock Shanghai Inquiry
Batchno.20250527 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251229 250mg In stock Shanghai Inquiry
Batchno.20250310 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS394737-30-5
  • Purity/Analytical Methods: >99.0%
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394737-30-5 / 1-[2-hydroxy-3-(2,4,6-trimethylphenyl)naphthalen-1-yl]-3-(2,4,6-trimethylphenyl)naphthalen-2-ol

Standard CAS: 394737-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
394737-30-5
Multi CAS
No
Molecular Formula
C38H34O2
Molecular Weight
522.700000
Exact Mass
522.255880
InChI
InChI=1S/C38H34O2/c1-21-15-23(3)33(24(4)16-21)31-19-27-11-7-9-13-29(27)35(37(31)39)36-30-14-10-8-12-28(30)20-32(38(36)40)34-25(5)17-22(2)18-26(34)6/h7-20,39-40H,1-6H3
InChIKey
AMAGJVAGPXZJHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
32
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
169.51
TPSA
40.46

LogP / Solubility

WLOGP
10.26
MLOGP
9.06
XLogP3
10.8
Consensus LogP
10.04
Log S (ESOL)
-9.94
Class (ESOL)
Insoluble
Log S (Ali)
-11.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.93
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)
1.37

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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