CAS RN: 915289-60-0
Bakkenolide IIIa
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.20250927 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS915289-60-0
- Purity/Analytical Methods: >99.0%
915289-60-0 / [3a,4-dimethyl-4'-methylidene-7-(3-methylsulfanylprop-2-enoyloxy)-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl] 2-methylbut-2-enoate
Basic Information
CAS
915289-60-0
Multi CAS
Yes
Molecular Formula
C24H32O6S
Molecular Weight
448.600000
Exact Mass
448.191960
InChI
InChI=1S/C24H32O6S/c1-7-14(2)21(26)30-20-19-17(29-18(25)10-11-31-6)9-8-15(3)23(19,5)13-24(20)16(4)12-28-22(24)27/h7,10-11,15,17,19-20H,4,8-9,12-13H2,1-3,5-6H3
InChIKey
LWJFULOPSWJZSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
118.99
TPSA
78.9
LogP / Solubility
WLOGP
4.21
MLOGP
3.73
XLogP3
4.1
Consensus LogP
4.01
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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