CAS RN: 3440-24-2
3′,4′,7,8-TETRAHYDROXYFLAVONE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS3440-24-2
- Purity/Analytical Methods: >99.0%
3440-24-2 / 2-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one
Basic Information
CAS
3440-24-2
Multi CAS
Yes
Molecular Formula
C15H10O6
Molecular Weight
286.240000
Exact Mass
286.047738
InChI
InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
InChIKey
ARYCMKPCDNHQCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
74.58
TPSA
111.13
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
1.8
Consensus LogP
2.03
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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- CAS RN: 3442-78-2
- Product Code: starshine_CAS3442-78-2
- Purity/Analytical method: >99.0%
