CAS RN: 36437-19-1
2-CHLOROMALONALDEHYDE
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.20250620 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS36437-19-1
- Purity/Analytical Methods: >99.0%
36437-19-1 / 2-chloropropanedial
Basic Information
CAS
36437-19-1
Multi CAS
No
Molecular Formula
C3H3CLO2
Molecular Weight
106.510000
Exact Mass
105.982157
InChI
InChI=1S/C3H3ClO2/c4-3(1-5)2-6/h1-3H
InChIKey
KTRZQCIGJUWSGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
21.77
TPSA
34.14
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.02
XLogP3
0.1
Consensus LogP
0.02
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
Class (SILICOS-IT)
Very 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)
-3.38
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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