CAS RN: 157033-23-3
(2,5-DIFLUORO-PHENYL)-ACETYL CHLORIDE
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.20250708 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS157033-23-3
- Purity/Analytical Methods: >99.0%
157033-23-3 / 2-(2,5-difluorophenyl)acetyl chloride
Basic Information
CAS
157033-23-3
Multi CAS
No
Molecular Formula
C8H5ClF2O
Molecular Weight
190.570000
Exact Mass
189.999699
SMILES
C1=CC(=C(C=C1F)CC(=O)Cl)F
InChI
InChI=1S/C8H5ClF2O/c9-8(12)4-5-3-6(10)1-2-7(5)11/h1-3H,4H2
InChIKey
LQGHDMOEOHWRGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.92
TPSA
17.07
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.6
Consensus LogP
2.29
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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