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CAS 191545-24-1 Epieriocalyxin A molecular structure lightbox
CAS RN: 191545-24-1

Epieriocalyxin A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS191545-24-1
  • Purity/Analytical Methods: >99.0%
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191545-24-1 / 2',2',10-trimethyl-2,5',11-trioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,6'-cyclohex-3-ene]-1'-carbaldehyde

Standard CAS: 191545-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191545-24-1
Multi CAS
No
Molecular Formula
C20H24O5
Molecular Weight
344.400000
Exact Mass
344.162374
SMILES
CC1C2CCC3C(C2)(C1=O)C(=O)OCC34C(C(C=CC4=O)(C)C)C=O
InChI
InChI=1S/C20H24O5/c1-11-12-4-5-13-19(8-12,16(11)23)17(24)25-10-20(13)14(9-21)18(2,3)7-6-15(20)22/h6-7,9,11-14H,4-5,8,10H2,1-3H3
InChIKey
NTFGUZQAIRRLSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
88.31
TPSA
77.51

LogP / Solubility

WLOGP
2.13
MLOGP
1.89
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10

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