CAS RN: 82426-88-8
1,1,1,2-四氟乙烷（药用辅料）
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.20260311 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS82426-88-8
- Purity/Analytical Methods: >99.0%
82426-88-8 / (2-decanoyloxy-3-octanoyloxypropyl) decanoate
Basic Information
CAS
82426-88-8
Multi CAS
No
Molecular Formula
C31H58O6
Molecular Weight
526.800000
Exact Mass
526.423340
InChI
InChI=1S/C31H58O6/c1-4-7-10-13-15-18-21-24-30(33)36-27-28(26-35-29(32)23-20-17-12-9-6-3)37-31(34)25-22-19-16-14-11-8-5-2/h28H,4-27H2,1-3H3
InChIKey
KHOXIGZKRZJQTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.9
Rotatable bonds
27
H-bond acceptors
6
Molar refractivity
150.39
TPSA
78.9
LogP / Solubility
WLOGP
8.63
MLOGP
7.63
XLogP3
11.1
Consensus LogP
9.12
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-10.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.48
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)
0.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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