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CAS 1058734-56-7 R-3,3′-di-9-phenanthrenyl-1,1′-Binaphthalene]-2,2′-diol, 98%，ee99% molecular structure lightbox
CAS RN: 1058734-56-7

R-3,3′-di-9-phenanthrenyl-1,1′-Binaphthalene]-2,2′-diol, 98%，ee99%

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260519 100mg In stock Shanghai Inquiry
Batchno.20250518 1g In stock Shanghai Inquiry
Batchno.20260601 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250801 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250210 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-007538
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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: ≥95%
  • 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 1058734-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1058734-56-7 / 1-(2-hydroxy-3-phenanthren-9-ylnaphthalen-1-yl)-3-phenanthren-9-ylnaphthalen-2-ol

(1S)-3,3'-Di(phenanthren-9-yl)-1,1'-binaphthyl-2,2'-diol | (R)-3,3'-Di-9-phenanthrenyl-1,1'-binaphthalene-2,2'-diol | (R)-3,3'-Di-9-phenanthrenyl-[1,1'-binaphthalene]-2,2'-diol

Standard CAS: 1058734-56-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1058734-56-7
Multi CAS
No
Molecular Formula
C48H30O2
Molecular Weight
638.700000
Exact Mass
638.224580
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC5=CC=CC=C5C(=C4O)C6=C(C(=CC7=CC=CC=C76)C8=CC9=CC=CC=C9C1=CC=CC=C18)O
InChI
InChI=1S/C48H30O2/c49-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)50)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-28,49-50H
InChIKey
XYUOTCUHTHQCNC-UHFFFAOYSA-N
Synonyms
(1S)-3,3'-Di(phenanthren-9-yl)-1,1'-binaphthyl-2,2'-diol (R)-3,3'-Di-9-phenanthrenyl-1,1'-binaphthalene-2,2'-diol (R)-3,3'-Di-9-phenanthrenyl-[1,1'-binaphthalene]-2,2'-diol (S)-3,3'-Di(phenanthren-9-yl)-[1,1'-binaphthalene]-2,2'-diol MFCD09027269

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
48
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
211.12
TPSA
40.46

LogP / Solubility

WLOGP
13.02
MLOGP
11.51
XLogP3
13.6
Consensus LogP
12.71
Log S (ESOL)
-12.51
Class (ESOL)
Insoluble
Log S (Ali)
-14.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.98
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)
2.63

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
7.5

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