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CAS 197304-01-1 Glycyrrhiza flavonol A molecular structure lightbox
CAS RN: 197304-01-1

Glycyrrhiza flavonol A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS197304-01-1
  • Purity/Analytical Methods: >99.0%
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197304-01-1 / 3,5,7-trihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one

Standard CAS: 197304-01-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
197304-01-1
Multi CAS
No
Molecular Formula
C20H18O7
Molecular Weight
370.400000
Exact Mass
370.105253
SMILES
CC1(C(CC2=C(O1)C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)C
InChI
InChI=1S/C20H18O7/c1-20(2)15(23)6-10-5-9(3-4-13(10)27-20)19-18(25)17(24)16-12(22)7-11(21)8-14(16)26-19/h3-5,7-8,15,21-23,25H,6H2,1-2H3
InChIKey
UFWHTSBKDGUFOX-UHFFFAOYSA-N

Physical Properties

Melting Point
163 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
4
Molar refractivity
97.33
TPSA
120.36

LogP / Solubility

WLOGP
2.65
MLOGP
2.35
XLogP3
2.9
Consensus LogP
2.63
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
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
Yes
Log Kp (skin permeation)
-3.1

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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