CAS RN: 63476-06-2
1,11-UNDECANEDITHIOL
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.20250324 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63476-06-2
- Purity/Analytical Methods: >99.0%
63476-06-2 / undecane-1,11-dithiol
Basic Information
CAS
63476-06-2
Multi CAS
No
Molecular Formula
C11H24S2
Molecular Weight
220.400000
Exact Mass
220.131943
InChI
InChI=1S/C11H24S2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
InChIKey
ODMTYGIDMVZUER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.26
TPSA
2.0000
LogP / Solubility
WLOGP
4.36
MLOGP
3.84
XLogP3
4.9
Consensus LogP
4.37
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-0.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
