CAS RN: 610758-40-2
2-(4-fluorophenyl)-6-methoxychroman-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.20250415 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: LINF915583
610758-40-2 / 2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
Basic Information
CAS
610758-40-2
Multi CAS
No
Molecular Formula
C16FH13O3
Molecular Weight
272.270000
Exact Mass
272.084872
InChI
InChI=1S/C16H13FO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,16H,9H2,1H3
InChIKey
VARCHUJAXLHBPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.71
TPSA
35.53
LogP / Solubility
WLOGP
3.54
MLOGP
3.12
XLogP3
3
Consensus LogP
3.22
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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