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CAS 70794-01-3 8-METHYLFLAVONE molecular structure lightbox
CAS RN: 70794-01-3

8-METHYLFLAVONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS70794-01-3
  • Purity/Analytical Methods: >99.0%
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70794-01-3 / 8-methyl-2-phenylchromen-4-one

Standard CAS: 70794-01-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70794-01-3
Multi CAS
Yes
Molecular Formula
C16H12O2
Molecular Weight
236.260000
Exact Mass
236.083730
InChI
InChI=1S/C16H12O2/c1-11-6-5-9-13-14(17)10-15(18-16(11)13)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
JTTIFEIDOQSMRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.66
TPSA
30.21

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
3.9
Consensus LogP
3.66
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly 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)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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