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CAS 1854074-51-3 R-3,3′-Di-1-pyrenyl-1,1′-bi-2-naphthol, 98%，ee99% molecular structure lightbox
CAS RN: 1854074-51-3

R-3,3′-Di-1-pyrenyl-1,1′-bi-2-naphthol, 98%，ee99%

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 100mg In stock Shanghai Inquiry
Batchno.20260615 1g In stock Shanghai Inquiry
Batchno.20251012 250mg In stock Shanghai Inquiry
Batchno.20250709 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 5mg / 25mg / 100mg Confirm by inquiry Shandong Inquiry
  • Product code: SSC-085811
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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: 0.1g
  • 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 1854074-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shenzhen Inquiry

1854074-51-3 / 1-(2-hydroxy-3-pyren-1-ylnaphthalen-1-yl)-3-pyren-1-ylnaphthalen-2-ol

Standard CAS: 1854074-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1854074-51-3
Multi CAS
No
Molecular Formula
C52H30O2
Molecular Weight
686.800000
Exact Mass
686.224580
SMILES
C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)O)O)C9=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9
InChI
InChI=1S/C52H30O2/c53-51-43(39-23-19-33-17-15-29-9-5-11-31-21-25-41(39)47(33)45(29)31)27-35-7-1-3-13-37(35)49(51)50-38-14-4-2-8-36(38)28-44(52(50)54)40-24-20-34-18-16-30-10-6-12-32-22-26-42(40)48(34)46(30)32/h1-28,53-54H
InChIKey
WZMZAWXVJLOUOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
52
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
228.5
TPSA
40.46

LogP / Solubility

WLOGP
14.2
MLOGP
12.55
XLogP3
14.8
Consensus LogP
13.85
Log S (ESOL)
-13.56
Class (ESOL)
Insoluble
Log S (Ali)
-15.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.27
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)
3.17

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
8.5

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