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CAS 22318-10-1 Evodol molecular structure lightbox
CAS RN: 22318-10-1

Evodol

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Batchno.20250403 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS22318-10-1
  • Purity/Analytical Methods: >99.0%
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22318-10-1 / (1R,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docos-10-ene-5,12,17-trione

Standard CAS: 22318-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22318-10-1
Multi CAS
No
Molecular Formula
C26H28O9
Molecular Weight
484.500000
Exact Mass
484.173332
SMILES
C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C(=C6[C@@]37COC(=O)C[C@@H]7OC6(C)C)O)C
InChI
InChI=1S/C26H28O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,19-20,28H,5,7,9,11H2,1-4H3/t13-,14-,19-,20+,23-,24-,25-,26+/m0/s1
InChIKey
SNGHLUWTFLYPMT-JPRNBFAHSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
5
Fraction Csp3
0.65
Rotatable bonds
1
H-bond acceptors
9
H-bond donors
1
Molar refractivity
115.71
TPSA
124.8

LogP / Solubility

WLOGP
2.94
MLOGP
2.62
XLogP3
1.2
Consensus LogP
2.25
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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
Yes
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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