CAS RN: 54041-17-7
flufenacet-alcohol
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.20251119 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54041-17-7
- Purity/Analytical Methods: >99.0%
54041-17-7 / N-(4-fluorophenyl)-2-hydroxy-N-propan-2-ylacetamide
Basic Information
CAS
54041-17-7
Multi CAS
No
Molecular Formula
C11FH14NO2
Molecular Weight
211.230000
Exact Mass
211.100857
InChI
InChI=1S/C11H14FNO2/c1-8(2)13(11(15)7-14)10-5-3-9(12)4-6-10/h3-6,8,14H,7H2,1-2H3
InChIKey
RISGISSUGUGJMO-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.11
TPSA
40.54
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1
Consensus LogP
1.31
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
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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2-Naphthacenecarboxamide, 11a-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-, [4S-(4alpha,4aalpha,5alpha,5aalpha,11aalpha,12aalpha)]-, mono(4-methylbenzenesulfonate) (salt)
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![CAS 54046-89-8 2-Naphthacenecarboxamide, 11a-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxo-, [4S-(4alpha,4aalpha,5alpha,5aalpha,11aalpha,12aalpha)]-, mono(4-methylbenzenesulfonate) (salt) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54046-89-8.gif)
