![CAS 56324-54-0 (4S)-4α-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8aβ-hexahydro-3,4aα,8,8-tetramethylnaphthalen-1(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56324-54-0.gif)
CAS RN: 56324-54-0
(4S)-4α-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8aβ-hexahydro-3,4aα,8,8-tetramethylnaphthalen-1(4H)-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.20250427 | 1mg / 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS56324-54-0
- Purity/Analytical Methods: >99.0%
56324-54-0 / (4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
Basic Information
CAS
56324-54-0
Multi CAS
Yes
Molecular Formula
C20H26O2
Molecular Weight
298.400000
Exact Mass
298.193280
InChI
InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1
InChIKey
MXTCKNHXBBXULO-ZJDHVTHPSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
89.23
TPSA
30.21
LogP / Solubility
WLOGP
5.27
MLOGP
4.65
XLogP3
4.9
Consensus LogP
4.94
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble
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)
-0.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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