CAS RN: 65023-19-0
(4aS,6aR,6bS,10R,12aS,14aR,14bR)-Methyl 10-hydroxy-2,2,6a,6b,9,9,12a-heptaMethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate
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.20250409 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65023-19-0
- Purity/Analytical Methods: >99.0%
65023-19-0 / methyl (4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,7,8,8a,10,11,12,14a,14b-dodecahydro-1H-picene-4a-carboxylate
Basic Information
CAS
65023-19-0
Multi CAS
Yes
Molecular Formula
C31H48O4
Molecular Weight
484.700000
Exact Mass
484.355260
InChI
InChI=1S/C31H48O4/c1-26(2)13-15-31(25(34)35-8)16-14-30(7)24(19(31)18-26)20(32)17-22-28(5)11-10-23(33)27(3,4)21(28)9-12-29(22,30)6/h17,19,21,23-24,33H,9-16,18H2,1-8H3/t19-,21?,23-,24+,28+,29-,30-,31+/m1/s1
InChIKey
URHQNWRPERDLCK-DFDYYWNYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
137.45
TPSA
63.6
LogP / Solubility
WLOGP
6.5
MLOGP
5.76
XLogP3
6.9
Consensus LogP
6.39
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.33
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)
-1.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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