CAS RN: 1645-21-2
2-(4-fluorophenyl)-4H-chromen-4-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260626 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1645-21-2
- Purity/Analytical Methods: >99.0%
1645-21-2 / 2-(4-fluorophenyl)chromen-4-one
Basic Information
CAS
1645-21-2
Multi CAS
No
Molecular Formula
C15H9FO2
Molecular Weight
240.230000
Exact Mass
240.058658
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChIKey
ZHXIMGYEMBZGOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
67.88
TPSA
30.21
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.7
Consensus LogP
3.49
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
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)
-1.63
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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- CAS RN: 1645-24-5
- Product Code: starshine_CAS1645-24-5
- Purity/Analytical method: >99.0%
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