CAS RN: 24063-71-6
Isocurcumenol, Analytical reference
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260210 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260627 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260212 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251007 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260530 | 5mg | In stock | Shanghai | Inquiry |
- Product code: LINI889643
24063-71-6 / 2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
Basic Information
CAS
24063-71-6
Multi CAS
No
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
SMILES
CC1CCC2C13CC(=C(C)C)C(O3)(CC2=C)O
InChI
InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h11-12,16H,3,5-8H2,1-2,4H3
InChIKey
DEBDFZGNZTYPMF-UHFFFAOYSA-N
Physical Properties
Melting Point
139 - 141 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.73
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.4
TPSA
29.46
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
2.2
Consensus LogP
2.73
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.89
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
6.5
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