CAS RN: 79491-71-7
9-Oxo-10,11-dehydroageraphorone
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.20250321 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS79491-71-7
- Purity/Analytical Methods: >99.0%
79491-71-7 / 3,8-dimethyl-5-propan-2-ylidene-4a,7,8,8a-tetrahydro-1H-naphthalene-2,6-dione
Basic Information
CAS
79491-71-7
Multi CAS
Yes
Molecular Formula
C15H20O2
Molecular Weight
232.320000
Exact Mass
232.146330
InChI
InChI=1S/C15H20O2/c1-8(2)15-12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,9,11-12H,6-7H2,1-4H3/t9-,11+,12+/m0/s1
InChIKey
RDQAKTSDUZUBQC-MVWJERBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
67.52
TPSA
34.14
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
2.7
Consensus LogP
2.83
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.95
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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