CAS RN: 821793-28-6
(S)-(+)-5,5′,6,6′,7,7′,8,8′-Octahydro-3,3′-di-t-butyl-1,1′-bi-2-naphthol,dipotassium salt
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.20260331 | 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS821793-28-6
- Purity/Analytical Methods: >99.0%
821793-28-6 / dipotassium;3-tert-butyl-1-(3-tert-butyl-2-oxido-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-olate
Basic Information
CAS
821793-28-6
Multi CAS
Yes
Molecular Formula
C28H36K2O2
Molecular Weight
482.800000
Exact Mass
482.198943
InChI
InChI=1S/C28H38O2.2K/c1-27(2,3)21-15-17-11-7-9-13-19(17)23(25(21)29)24-20-14-10-8-12-18(20)16-22(26(24)30)28(4,5)6;;/h15-16,29-30H,7-14H2,1-6H3;;/q;2*+1/p-2
InChIKey
KUFMCCDFHGQYSN-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
121.45
TPSA
46.12
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.09
XLogP3
-0.14
Consensus LogP
-0.12
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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