CAS RN: 75762-57-1
3-CHLORO-3′-FLUOROBENZOPHENONE
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.20250709 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS75762-57-1
- Purity/Analytical Methods: >99.0%
75762-57-1 / (3-chlorophenyl)-(3-fluorophenyl)methanone
Basic Information
CAS
75762-57-1
Multi CAS
No
Molecular Formula
C13H8CLFO
Molecular Weight
234.650000
Exact Mass
234.024771
InChI
InChI=1S/C13H8ClFO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
InChIKey
SDMZTGGMWKCDDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.28
TPSA
17.07
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
4
Consensus LogP
3.66
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
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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