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CAS 73036-54-1 7-Ketoisodrimenin molecular structure lightbox
CAS RN: 73036-54-1

7-Ketoisodrimenin

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260228 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS73036-54-1
  • Purity/Analytical Methods: >99.0%
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73036-54-1 / (5aS,9aS)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g][2]benzofuran-1,4-dione

Standard CAS: 73036-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73036-54-1
Multi CAS
No
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-14(2)5-4-6-15(3)11(14)7-10(16)9-8-18-13(17)12(9)15/h11H,4-8H2,1-3H3/t11-,15-/m0/s1
InChIKey
DUXBZCLJTPCFOX-NHYWBVRUSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.73
H-bond acceptors
3
Molar refractivity
66.84
TPSA
43.37

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.9
Consensus LogP
2.63
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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