CAS RN: 89264-09-5
Ethanone, 2-chloro-2,2-difluoro-1-(4-methylphenyl)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS89264-09-5
- Purity/Analytical Methods: >99.0%
89264-09-5 / 2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanone
Basic Information
CAS
89264-09-5
Multi CAS
No
Molecular Formula
C9H7CLF2O
Molecular Weight
204.600000
Exact Mass
204.015349
InChI
InChI=1S/C9H7ClF2O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3
InChIKey
OZYGMZLILGYXLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46.31
TPSA
17.07
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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