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CAS 4423-37-4 SYRINGETIN molecular structure lightbox
CAS RN: 4423-37-4

SYRINGETIN

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  • Product code: starshine_CAS4423-37-4
  • Purity/Analytical Methods: >99.0%
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4423-37-4 / 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

Standard CAS: 4423-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4423-37-4
Multi CAS
Yes
Molecular Formula
C17H14O8
Molecular Weight
346.300000
Exact Mass
346.068867
InChI
InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3
InChIKey
UZMAPBJVXOGOFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
87.68
TPSA
129.59

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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