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CAS 287111-93-7 R-3,3′-diiodo-[1,1′-Binaphthalene]-2,2′-diol, 98%，ee99% molecular structure lightbox
CAS RN: 287111-93-7

R-3,3′-diiodo-[1,1′-Binaphthalene]-2,2′-diol, 98%，ee99%

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-130340
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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: 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 287111-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

287111-93-7 / 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol

Standard CAS: 287111-93-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
287111-93-7
Multi CAS
Yes
Molecular Formula
C20H12I2O2
Molecular Weight
538.100000
Exact Mass
537.892670
InChI
InChI=1S/C20H12I2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,23-24H
InChIKey
AGYZAQQARDBULW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
115.65
TPSA
40.46

LogP / Solubility

WLOGP
6.28
MLOGP
5.57
XLogP3
6.6
Consensus LogP
6.15
Log S (ESOL)
-7.68
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
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)
-1.54

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
3

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