CAS RN: 848353-85-5
Fluorofenidone
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
- Product code: starshine_CAS848353-85-5
- Purity/Analytical Methods: >99.0%
848353-85-5 / 1-(3-fluorophenyl)-5-methylpyridin-2-one
Basic Information
CAS
848353-85-5
Multi CAS
No
Molecular Formula
C12FH10NO
Molecular Weight
203.210000
Exact Mass
203.074642
InChI
InChI=1S/C12H10FNO/c1-9-5-6-12(15)14(8-9)11-4-2-3-10(13)7-11/h2-8H,1H3
InChIKey
JDZYVVUJIQYGRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.73
TPSA
22
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
2
Consensus LogP
2.1
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately 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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
PTACH
- CAS RN: 848354-66-5
- Product Code: starshine_CAS848354-66-5
- Purity/Analytical method: >99.0%
-
1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI)
- CAS RN: 848357-46-0
- Product Code: SSC-192502
-
1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI)
- CAS RN: 848357-99-3
- Product Code: SSC-192503
-
-
1-broMo-2-Methoxy-4-(trifluoroMethoxy)benzene
- CAS RN: 848360-85-0
- Product Code: SSC-192505
-
![CAS 848357-99-3 1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848357-99-3.gif)
