CAS RN: 625-36-5
3-Chloropropionyl Chloride
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250928 | 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251008 | 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTC0654
- Purity/Analytical Methods: >98.0%(T)
625-36-5 / 3-chloropropanoyl chloride
Basic Information
CAS
625-36-5
Multi CAS
Yes
Molecular Formula
C3H4CL2O
Molecular Weight
126.970000
Exact Mass
125.963920
InChI
InChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
InChIKey
INUNLMUAPJVRME-UHFFFAOYSA-N
Physical Properties
Physical Description
Clear light yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
26.2
TPSA
17.07
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.3
Consensus LogP
1.3
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.51
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
