CAS RN: 58493-71-3
ent-16beta,17-Isopropylidenedioxykaurane
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.20251208 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS58493-71-3
- Purity/Analytical Methods: >99.0%
58493-71-3 / (1'S,4R,4'R,9'R,10'R,13'R)-2,2,5',5',9'-pentamethylspiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]
Basic Information
CAS
58493-71-3
Multi CAS
Yes
Molecular Formula
C23H38O2
Molecular Weight
346.500000
Exact Mass
346.287180
InChI
InChI=1S/C23H38O2/c1-19(2)10-6-11-21(5)17(19)9-12-22-13-16(7-8-18(21)22)23(14-22)15-24-20(3,4)25-23/h16-18H,6-15H2,1-5H3/t16-,17-,18+,21-,22+,23+/m1/s1
InChIKey
KIJYVQFJGWLPQH-NXKRBXPFSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
100.19
TPSA
18.46
LogP / Solubility
WLOGP
5.94
MLOGP
5.25
XLogP3
6.4
Consensus LogP
5.86
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
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
No
Log Kp (skin permeation)
-0.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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