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CAS 86688-06-4 R-1,1′-BINAPHTHALENE-2,2′-DIIODO molecular structure lightbox
CAS RN: 86688-06-4

R-1,1′-BINAPHTHALENE-2,2′-DIIODO

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS86688-06-4
  • Purity/Analytical Methods: >99.0%
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86688-06-4 / 2-iodo-1-(2-iodonaphthalen-1-yl)naphthalene

Standard CAS: 86688-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86688-06-4
Multi CAS
No
Molecular Formula
C20H12I2
Molecular Weight
506.100000
Exact Mass
505.902850
InChI
InChI=1S/C20H12I2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H
InChIKey
KZSPPDFSBAVQBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
20
Rotatable bonds
1
Molar refractivity
112.32
TPSA
0.0000

LogP / Solubility

WLOGP
6.87
MLOGP
6.08
XLogP3
7.3
Consensus LogP
6.75
Log S (ESOL)
-7.91
Class (ESOL)
Insoluble
Log S (Ali)
-8.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
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)
-0.93

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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