CAS RN: 20267-92-9
Hydroxylinderstrenolide
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.20260223 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20267-92-9
- Purity/Analytical Methods: >99.0%
20267-92-9 / (4aS,8aS,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran-2-one
Basic Information
CAS
20267-92-9
Multi CAS
No
Molecular Formula
C15H18O3
Molecular Weight
246.300000
Exact Mass
246.125594
SMILES
CC1=C2C[C@H]3C(=C)CC=C[C@@]3(C[C@@]2(OC1=O)O)C
InChI
InChI=1S/C15H18O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h4,6,11,17H,1,5,7-8H2,2-3H3/t11-,14+,15-/m0/s1
InChIKey
VMGUBSLDEXOUMH-GLQYFDAESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.53
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.47
TPSA
46.53
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
1.8
Consensus LogP
2.16
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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