CAS RN: 22118-09-8
Bromoacetyl 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.20250710 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: ICTB0900
- Purity/Analytical Methods: >85.0%(GC)
22118-09-8 / 2-bromoacetyl chloride
Basic Information
CAS
22118-09-8
Multi CAS
No
Molecular Formula
C2H2BrClO
Molecular Weight
157.390000
Exact Mass
155.897750
SMILES
C(C(=O)Cl)Br
InChI
InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2
InChIKey
SYZRZLUNWVNNNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
24.65
TPSA
17.07
LogP / Solubility
WLOGP
1.15
MLOGP
1
XLogP3
1.6
Consensus LogP
1.25
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-2.87
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
