CAS RN: 29956-99-8
DI-TERT-OCTYL DISULFIDE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS29956-99-8
- Purity/Analytical Methods: >99.0%
29956-99-8 / 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yldisulfanyl)pentane
Basic Information
CAS
29956-99-8
Multi CAS
Yes
Molecular Formula
C16H34S2
Molecular Weight
290.600000
Exact Mass
290.210193
InChI
InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
InChIKey
ZIMCZOLRXKPXLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
91.48
TPSA
50.6000
LogP / Solubility
WLOGP
6.8
MLOGP
5.99
XLogP3
6.3
Consensus LogP
6.36
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.33
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
1.5
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- Product Code: starshine_CAS29958-83-6
- Purity/Analytical method: >99.0%
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