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CAS 94234-24-9 20-Dehydroeupatoriopicrin semiacetal molecular structure lightbox
CAS RN: 94234-24-9

20-Dehydroeupatoriopicrin semiacetal

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS94234-24-9
  • Purity/Analytical Methods: >99.0%
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94234-24-9 / [(3aR,4R,6Z,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 5-hydroxy-2,5-dihydrofuran-3-carboxylate

Standard CAS: 94234-24-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94234-24-9
Multi CAS
Yes
Molecular Formula
C20H24O6
Molecular Weight
360.400000
Exact Mass
360.157288
InChI
InChI=1S/C20H24O6/c1-11-5-4-6-12(2)8-16(18-13(3)19(22)25-15(18)7-11)26-20(23)14-9-17(21)24-10-14/h6-7,9,15-18,21H,3-5,8,10H2,1-2H3/b11-7+,12-6?/t15-,16-,17?,18+/m1/s1
InChIKey
GWPLGGJNZWWQIB-STFBJPSCSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
93.8
TPSA
82.06

LogP / Solubility

WLOGP
2.35
MLOGP
2.09
XLogP3
1.6
Consensus LogP
2.01
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
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)
-3.25

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
6

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