CAS RN: 454689-23-7
6-Fluoro-3-iodochroMone
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251009 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS454689-23-7
- Purity/Analytical Methods: >99.0%
454689-23-7 / 6-fluoro-3-iodochromen-4-one
Basic Information
CAS
454689-23-7
Multi CAS
Yes
Molecular Formula
C9FH4IO2
Molecular Weight
290.030000
Exact Mass
289.924010
InChI
InChI=1S/C9H4FIO2/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4H
InChIKey
MSSPXIPTHXEIBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
55.16
TPSA
30.21
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.36
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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