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CAS 2034-65-3 3,7,4′-TRIHYDROXYFLAVONE molecular structure lightbox
CAS RN: 2034-65-3

3,7,4′-TRIHYDROXYFLAVONE

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4 package records0 with current stock1 grade group
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Batchno.20251208 10mg Out of stock Inquiry
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  • Product code: starshine_CAS2034-65-3
  • Purity/Analytical Methods: >99.0%
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2034-65-3 / 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 2034-65-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2034-65-3
Multi CAS
No
Molecular Formula
C15H10O5
Molecular Weight
270.240000
Exact Mass
270.052823
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H
InChIKey
OBWHQJYOOCRPST-UHFFFAOYSA-N

Physical Properties

Melting Point
310 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
72.91
TPSA
90.9

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.7
Consensus LogP
2.52
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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