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CAS 329319-20-2 Sanggenol L molecular structure lightbox
CAS RN: 329319-20-2

Sanggenol L

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2 package records0 with current stock2 grade groups
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  • Product code: starshine_CAS329319-20-2
  • Purity/Analytical Methods: >99.0%
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329319-20-2 / 2-(2,4-dihydroxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one

Standard CAS: 329319-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
329319-20-2
Multi CAS
Yes
Molecular Formula
C25H26O6
Molecular Weight
422.500000
Exact Mass
422.172939
InChI
InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-22(31-25)13-20(29)23-19(28)12-21(30-24(17)23)16-7-6-15(26)11-18(16)27/h5-8,10-11,13,21,26-27,29H,4,9,12H2,1-3H3
InChIKey
MCDFUBPTGYOGCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
116.93
TPSA
96.22

LogP / Solubility

WLOGP
5.42
MLOGP
4.8
XLogP3
5.3
Consensus LogP
5.17
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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