CAS RN: 426210-81-3
(R)-2,2′-Diethynyl-1,1′-binaphthalene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS426210-81-3
- Purity/Analytical Methods: >99.0%
426210-81-3 / 2-ethynyl-1-(2-ethynylnaphthalen-1-yl)naphthalene
Basic Information
CAS
426210-81-3
Multi CAS
No
Molecular Formula
C24H14
Molecular Weight
302.400000
Exact Mass
302.109550
InChI
InChI=1S/C24H14/c1-3-17-13-15-19-9-5-7-11-21(19)23(17)24-18(4-2)14-16-20-10-6-8-12-22(20)24/h1-2,5-16H
InChIKey
HOIXLTOIPZAMTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
1
Molar refractivity
102.76
TPSA
0.0000
LogP / Solubility
WLOGP
5.62
MLOGP
4.96
XLogP3
6.5
Consensus LogP
5.69
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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