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CAS 20460-33-7 Epitaraxerol molecular structure lightbox
CAS RN: 20460-33-7

Epitaraxerol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS20460-33-7
  • Purity/Analytical Methods: >99.0%
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20460-33-7 / (3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol

Standard CAS: 20460-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20460-33-7
Multi CAS
No
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
SMILES
C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)C
InChI
InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24+,27-,28-,29-,30+/m0/s1
InChIKey
GGGUGZHBAOMSFJ-VONAQYPGSA-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
9.3
Consensus LogP
8.23
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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