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CAS 53452-32-7 16-Kaurene-2,6,15-triol molecular structure lightbox
CAS RN: 53452-32-7

16-Kaurene-2,6,15-triol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS53452-32-7
  • Purity/Analytical Methods: >99.0%
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53452-32-7 / (1R,4S,9R,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-3,7,15-triol

Standard CAS: 53452-32-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53452-32-7
Multi CAS
Yes
Molecular Formula
C20H32O3
Molecular Weight
320.500000
Exact Mass
320.235145
InChI
InChI=1S/C20H32O3/c1-11-12-5-6-15-19(4)9-13(21)8-18(2,3)16(19)14(22)10-20(15,7-12)17(11)23/h12-17,21-23H,1,5-10H2,2-4H3/t12-,13?,14?,15-,16+,17?,19-,20-/m1/s1
InChIKey
OUDUFOYDAUOXPD-UZHLRENFSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
89.65
TPSA
60.69

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10

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