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CAS 562-28-7 (±)-Kaura-16-ene molecular structure lightbox
CAS RN: 562-28-7

(±)-Kaura-16-ene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS562-28-7
  • Purity/Analytical Methods: >99.0%
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562-28-7 / (4R,9R,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane

Standard CAS: 562-28-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
562-28-7
Multi CAS
Yes
Molecular Formula
C20H32
Molecular Weight
272.500000
Exact Mass
272.250401
InChI
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3/t15-,16-,17+,19-,20?/m1/s1
InChIKey
ONVABDHFQKWOSV-ZJXASSBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.9
Molar refractivity
85.48
TPSA
0.0000

LogP / Solubility

WLOGP
5.98
MLOGP
5.27
XLogP3
6.9
Consensus LogP
6.05
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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