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CAS 23811-50-9 Trichokaurin molecular structure lightbox
CAS RN: 23811-50-9

Trichokaurin

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Batchno.20260409 5mg Out of stock Inquiry
  • Product code: starshine_CAS23811-50-9
  • Purity/Analytical Methods: >99.0%
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23811-50-9 / (7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate

Standard CAS: 23811-50-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23811-50-9
Multi CAS
No
Molecular Formula
C24H34O7
Molecular Weight
434.500000
Exact Mass
434.230453
SMILES
CC(=O)OC1C2C(CCC(C23COC1(C45C3CCC(C4)C(=C)C5OC(=O)C)O)O)(C)C
InChI
InChI=1S/C24H34O7/c1-12-15-6-7-16-22-11-29-24(28,23(16,10-15)19(12)30-13(2)25)20(31-14(3)26)18(22)21(4,5)9-8-17(22)27/h15-20,27-28H,1,6-11H2,2-5H3
InChIKey
GLBRPJYMFLHADY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
109.36
TPSA
102.29

LogP / Solubility

WLOGP
2.34
MLOGP
2.09
XLogP3
1.9
Consensus LogP
2.11
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly 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)
-3.71

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
10

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