CAS RN: 66543-80-4
tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
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.20251211 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS66543-80-4
- Purity/Analytical Methods: >99.0%
66543-80-4 / tris(2-methylpropyl) 2-acetyloxypropane-1,2,3-tricarboxylate
Basic Information
CAS
66543-80-4
Multi CAS
No
Molecular Formula
C20H34O8
Molecular Weight
402.500000
Exact Mass
402.225368
InChI
InChI=1S/C20H34O8/c1-13(2)10-25-17(22)8-20(28-16(7)21,19(24)27-12-15(5)6)9-18(23)26-11-14(3)4/h13-15H,8-12H2,1-7H3
InChIKey
KCCLEAUZFNBELO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.8
Rotatable bonds
12
H-bond acceptors
8
Molar refractivity
101.12
TPSA
105.2
LogP / Solubility
WLOGP
2.67
MLOGP
2.37
XLogP3
3.5
Consensus LogP
2.85
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
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
Yes
Log Kp (skin permeation)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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