CAS RN: 489-39-4
(+)-AROMADENDRENE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250528 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS489-39-4
- Purity/Analytical Methods: >99.0%
489-39-4 / (1aR,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Basic Information
CAS
489-39-4
Multi CAS
Yes
Molecular Formula
C15H24
Molecular Weight
204.350000
Exact Mass
204.187801
InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11?,12-,13-,14-/m1/s1
InChIKey
ITYNGVSTWVVPIC-YTPFDHIKSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.87
Molar refractivity
64.51
TPSA
0.0000
LogP / Solubility
WLOGP
4.27
MLOGP
3.76
XLogP3
4.7
Consensus LogP
4.24
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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