CAS RN: 1386253-18-4
4H-1-Benzopyran-4-one, 5-fluoro-
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.20251224 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1386253-18-4
- Purity/Analytical Methods: >99.0%
1386253-18-4 / 5-fluorochromen-4-one
Basic Information
CAS
1386253-18-4
Multi CAS
No
Molecular Formula
C9H5FO2
Molecular Weight
164.130000
Exact Mass
164.027358
SMILES
C1=CC2=C(C(=O)C=CO2)C(=C1)F
InChI
InChI=1S/C9H5FO2/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-5H
InChIKey
LMRAZGQPHHBGHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
42.44
TPSA
30.21
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.6
Consensus LogP
1.74
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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