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CAS 67451-73-4 Isoasatone A molecular structure lightbox
CAS RN: 67451-73-4

Isoasatone A

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5 package records0 with current stock2 grade groups
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Batchno.20260318 10mg Out of stock Inquiry
Batchno.20250112 1mg Out of stock Inquiry
Batchno.20250828 25mg Out of stock Inquiry
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Batchno.20250627 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS67451-73-4
  • Purity/Analytical Methods: >99.0%
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67451-73-4 / 3,3,5,8,10,10-hexamethoxy-11-prop-1-enyl-7-prop-2-enyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione

Standard CAS: 67451-73-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67451-73-4
Multi CAS
Yes
Molecular Formula
C24H32O8
Molecular Weight
448.500000
Exact Mass
448.209718
InChI
InChI=1S/C24H32O8/c1-9-11-15-13-22(28-4)20(26)23(29-5,30-6)17(15)18-21(22,12-10-2)14-16(27-3)19(25)24(18,31-7)32-8/h9-11,13-14,17-18H,2,12H2,1,3-8H3
InChIKey
JSAXPXNTZVWWDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.58
Rotatable bonds
9
H-bond acceptors
8
Molar refractivity
115.47
TPSA
89.52

LogP / Solubility

WLOGP
2.36
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
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)
-3.78

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
7

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