CAS RN: 54910-48-4
3(S)-Oxidosqualene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250918 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS54910-48-4
- Purity/Analytical Methods: >99.0%
54910-48-4 / 2,2-dimethyl-3-(3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)oxirane
Basic Information
CAS
54910-48-4
Multi CAS
Yes
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
InChI
InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1
InChIKey
QYIMSPSDBYKPPY-RSKUXYSASA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.67
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
139.58
TPSA
12.53
LogP / Solubility
WLOGP
9.82
MLOGP
8.67
XLogP3
10.3
Consensus LogP
9.6
Log S (ESOL)
-7.68
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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