CAS RN: 446-57-1
2,3-DIFLUOROBENZYL CHLORIDE
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.20260113 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS446-57-1
- Purity/Analytical Methods: >99.0%
446-57-1 / 1-(chloromethyl)-2,3-difluorobenzene
Basic Information
CAS
446-57-1
Multi CAS
No
Molecular Formula
C7H5CLF2
Molecular Weight
162.560000
Exact Mass
162.004784
InChI
InChI=1S/C7H5ClF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey
OVUKQQRPTLPXTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.92
TPSA
0.0000
LogP / Solubility
WLOGP
2.7
MLOGP
2.37
XLogP3
2.5
Consensus LogP
2.52
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-1.79
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
Customers Also Viewed
-
2-Fluoro-6-(hydroxymethyl)phenol
- CAS RN: 446-58-2
- Product Code: starshine_CAS446-58-2
- Purity/Analytical method: >99.0%
-
-
-
-
-
