CAS RN: 60853-81-8
DIMETHYLAMINOACETYL CHLORIDE HYDROCHLORIDE
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.20260119 | 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS60853-81-8
- Purity/Analytical Methods: >99.0%
60853-81-8 / 2-(dimethylamino)acetyl chloride;hydrochloride
Basic Information
CAS
60853-81-8
Multi CAS
Yes
Molecular Formula
C4H9CL2NO
Molecular Weight
158.020000
Exact Mass
157.006119
InChI
InChI=1S/C4H8ClNO.ClH/c1-6(2)3-4(5)7;/h3H2,1-2H3;1H
InChIKey
MVAXDKDOPWPFML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.66
TPSA
20.31
LogP / Solubility
WLOGP
0.74
MLOGP
0.64
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.16
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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