CAS RN: 97005-76-0
4′-METHOXYFLAVANONE
Product Availability
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5 package records1 with current stock1 grade group
- Product code: starshine_CAS97005-76-0
- Purity/Analytical Methods: >99.0%
97005-76-0 / 2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Basic Information
CAS
97005-76-0
Multi CAS
Yes
Molecular Formula
C16H14O3
Molecular Weight
254.280000
Exact Mass
254.094294
InChI
InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3
InChIKey
QIUYUYOXCGBABP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.75
TPSA
35.53
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.1
Consensus LogP
3.17
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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