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CAS 77658-38-9 Pterokaurene L3 molecular structure lightbox
CAS RN: 77658-38-9

Pterokaurene L3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS77658-38-9
  • Purity/Analytical Methods: >99.0%
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77658-38-9 / (1S,4S,5R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Standard CAS: 77658-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77658-38-9
Multi CAS
Yes
Molecular Formula
C20H30O3
Molecular Weight
318.400000
Exact Mass
318.219495
InChI
InChI=1S/C20H30O3/c1-13-11-19-9-6-15-17(2,16(21)22)7-4-8-18(15,3)20(19,23)10-5-14(13)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17-,18-,19-,20-/m1/s1
InChIKey
GQFVICMVZLJUEP-ABWGISGVSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.91
TPSA
57.53

LogP / Solubility

WLOGP
4.16
MLOGP
3.67
XLogP3
3.4
Consensus LogP
3.74
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

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
9

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