CAS RN: 68819-90-9
bis(4-tert-butyl-2,6-dimethylphenyl) disulfide
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.20260607 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS68819-90-9
- Purity/Analytical Methods: >99.0%
68819-90-9 / 5-tert-butyl-2-[(4-tert-butyl-2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene
Basic Information
CAS
68819-90-9
Multi CAS
No
Molecular Formula
C24H34S2
Molecular Weight
386.700000
Exact Mass
386.210193
InChI
InChI=1S/C24H34S2/c1-15-11-19(23(5,6)7)12-16(2)21(15)25-26-22-17(3)13-20(14-18(22)4)24(8,9)10/h11-14H,1-10H3
InChIKey
MFNGAMRVCCZXCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
120.95
TPSA
50.6000
LogP / Solubility
WLOGP
8.31
MLOGP
7.34
XLogP3
8.8
Consensus LogP
8.15
Log S (ESOL)
-7.62
Class (ESOL)
Insoluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
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
Yes
Log Kp (skin permeation)
0.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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