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CAS 73981-34-7 kamebakaurin molecular structure lightbox
CAS RN: 73981-34-7

kamebakaurin

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS73981-34-7
  • Purity/Analytical Methods: >99.0%
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73981-34-7 / 2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one

Standard CAS: 73981-34-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73981-34-7
Multi CAS
Yes
Molecular Formula
C20H30O5
Molecular Weight
350.400000
Exact Mass
350.209324
InChI
InChI=1S/C20H30O5/c1-10-11-4-5-12-19(9-21)13(18(2,3)7-6-14(19)22)8-15(23)20(12,16(10)24)17(11)25/h11-15,17,21-23,25H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+,17+,19-,20-/m0/s1
InChIKey
WHSUEVLJUHPROF-BIGDWJEQSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
4
Molar refractivity
91.46
TPSA
97.99

LogP / Solubility

WLOGP
1.04
MLOGP
0.93
XLogP3
1.4
Consensus LogP
1.12
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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