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CAS 22395-22-8 7-Methoxyflavone molecular structure lightbox
CAS RN: 22395-22-8

7-Methoxyflavone

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 100g Out of stock Inquiry
Batchno.20260103 1g In stock Shanghai Inquiry
Batchno.20250915 1g In stock Guangdong Inquiry
Batchno.20250630 25g In stock Shanghai Inquiry
Batchno.20250510 5g In stock Shanghai Inquiry
Batchno.20260601 5g In stock Shanghai Inquiry
  • Product code: ICTM1423
  • Purity/Analytical Methods: >98.0%(GC)
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22395-22-8 / 7-methoxy-2-phenylchromen-4-one

Standard CAS: 22395-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22395-22-8
Multi CAS
No
Molecular Formula
C16H12O3
Molecular Weight
252.260000
Exact Mass
252.078644
SMILES
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H12O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
QKNDCRMJDZLFEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
74.47
TPSA
39.44

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
3.9
Consensus LogP
3.48
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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)
-1.8

Drug-likeness / Medicinal Chemistry

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

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