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CAS 24405-57-0 (4aR)-4a,5,6,7,8,8a-Hexahydro-4aα-hydroxy-6α-isopropenyl-4,8aα-dimethylnaphthalene-2(1H)-one molecular structure lightbox
CAS RN: 24405-57-0

(4aR)-4a,5,6,7,8,8a-Hexahydro-4aα-hydroxy-6α-isopropenyl-4,8aα-dimethylnaphthalene-2(1H)-one

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Batch No.PackageAvailabilityInquiry
Batchno.20251015 5mg Out of stock Inquiry
  • Product code: starshine_CAS24405-57-0
  • Purity/Analytical Methods: >99.0%
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24405-57-0 / (4aR,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one

Standard CAS: 24405-57-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
24405-57-0
Multi CAS
Yes
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
InChI
InChI=1S/C15H22O2/c1-10(2)12-5-6-14(4)9-13(16)7-11(3)15(14,17)8-12/h7,12,17H,1,5-6,8-9H2,2-4H3/t12-,14+,15+/m1/s1
InChIKey
WDFLKCAWQQMJCA-SNPRPXQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.59
TPSA
37.3

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
2.4
Consensus LogP
2.69
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.01

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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