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CAS 81066-45-7 Kauniolide molecular structure lightbox
CAS RN: 81066-45-7

Kauniolide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS81066-45-7
  • Purity/Analytical Methods: >99.0%
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81066-45-7 / (3aS,9aS,9bS)-6,9-dimethyl-3-methylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one

Standard CAS: 81066-45-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81066-45-7
Multi CAS
Yes
Molecular Formula
C15H18O2
Molecular Weight
230.300000
Exact Mass
230.130680
InChI
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,12-14H,3-4,6-7H2,1-2H3/t12-,13-,14-/m0/s1
InChIKey
AVLOGKPJWQCTLP-IHRRRGAJSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.53
H-bond acceptors
2
Molar refractivity
66.31
TPSA
26.3

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
2.1
Consensus LogP
2.68
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-1.88

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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