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CAS 545-24-4 Glutina-5-ene-3β-ol molecular structure lightbox
CAS RN: 545-24-4

Glutina-5-ene-3β-ol

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Batchno.20250209 5mg Out of stock Inquiry
  • Product code: starshine_CAS545-24-4
  • Purity/Analytical Methods: >99.0%
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545-24-4 / (3S,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-ol

Standard CAS: 545-24-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
545-24-4
Multi CAS
Yes
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
InChI
InChI=1S/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+/m1/s1
InChIKey
HFSACQSILLSUII-ISSAZSKYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.93
H-bond acceptors
1
H-bond donors
1
Molar refractivity
130.72
TPSA
20.23

LogP / Solubility

WLOGP
8.17
MLOGP
7.22
XLogP3
9.2
Consensus LogP
8.2
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.48

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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