CAS RN: 6202-27-3

2′,3,4′,5,7-Pentahydroxyflavone

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7 package records2 with current stock1 grade group
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Batchno.20250223 100mg Out of stock Inquiry
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  • Product code: starshine_CAS6202-27-3
  • Purity/Analytical Methods: >99.0%
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6202-27-3 / 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate

Standard CAS: 6202-27-3 Multi CAS: Yes

Basic Information

CAS
6202-27-3
Multi CAS
Yes
Molecular Formula
C15H12O8
Molecular Weight
320.250000
Exact Mass
320.053217
InChI
InChI=1S/C15H10O7.H2O/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;/h1-5,16-19,21H;1H2
InChIKey
MYUBTSPIIFYCIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
5
Molar refractivity
79.86
TPSA
162.86

LogP / Solubility

WLOGP
1.16
MLOGP
1.04
XLogP3
1.16
Consensus LogP
1.12
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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