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CAS 10420-75-4 4′-chloroflavone molecular structure lightbox
CAS RN: 10420-75-4

4′-chloroflavone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10420-75-4
  • Purity/Analytical Methods: >99.0%
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10420-75-4 / 2-(4-chlorophenyl)chromen-4-one

4'-Chloroflavone | 2-(4-chlorophenyl)chromen-4-one | DTXSID90146345

Standard CAS: 10420-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10420-75-4
Multi CAS
No
Molecular Formula
C15H9ClO2
Molecular Weight
256.680000
Exact Mass
256.029107
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChIKey
BUEVXCMRYKDSMY-UHFFFAOYSA-N
Synonyms
4'-Chloroflavone 2-(4-chlorophenyl)chromen-4-one DTXSID90146345 RefChem:911735 DTXCID8068836

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.93
TPSA
30.21

LogP / Solubility

WLOGP
4.11
MLOGP
3.63
XLogP3
4.2
Consensus LogP
3.98
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-1.37

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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