CAS RN: 54707-47-0
Eudesma-4(15),7(11)-dien-8-one
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.20251118 | 2mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS54707-47-0
- Purity/Analytical Methods: >99.0%
54707-47-0 / (4aS,8aR)-8a-methyl-5-methylidene-3-propan-2-ylidene-1,4,4a,6,7,8-hexahydronaphthalen-2-one
Basic Information
CAS
54707-47-0
Multi CAS
No
Molecular Formula
C15H22O
Molecular Weight
218.330000
Exact Mass
218.167065
InChI
InChI=1S/C15H22O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h13H,3,5-9H2,1-2,4H3/t13-,15+/m0/s1
InChIKey
NKGSEACIYQINQJ-DZGCQCFKSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
H-bond acceptors
1
Molar refractivity
67.2
TPSA
17.07
LogP / Solubility
WLOGP
4.05
MLOGP
3.56
XLogP3
3.8
Consensus LogP
3.8
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-1.18
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
2.5
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