CAS RN: 92519-95-4
Viscidulin I
Product Availability
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3 package records0 with current stock2 grade groups
- Product code: starshine_CAS92519-95-4
- Purity/Analytical Methods: >99.0%
92519-95-4 / 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Basic Information
CAS
92519-95-4
Multi CAS
No
Molecular Formula
C15H10O7
Molecular Weight
302.230000
Exact Mass
302.042653
InChI
InChI=1S/C15H10O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,16-19,21H
InChIKey
NULZZCUABWZIRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
5
Molar refractivity
76.24
TPSA
131.36
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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