CAS RN: 59870-68-7

Glabridin

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  • Product code: starshine_CAS59870-68-7
  • Purity/Analytical Methods: >99.0%
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59870-68-7 / 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

Standard CAS: 59870-68-7 Multi CAS: Yes

Basic Information

CAS
59870-68-7
Multi CAS
Yes
Molecular Formula
C20H20O4
Molecular Weight
324.400000
Exact Mass
324.136159
InChI
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKey
LBQIJVLKGVZRIW-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.89
TPSA
58.92

LogP / Solubility

WLOGP
4
MLOGP
3.54
XLogP3
3.9
Consensus LogP
3.81
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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