CAS RN: 59660-95-6
2-amino-2-methylpropanoyl chloride hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260422 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59660-95-6
- Purity/Analytical Methods: >99.0%
59660-95-6 / 2-amino-2-methylpropanoyl chloride;hydrochloride
Basic Information
CAS
59660-95-6
Multi CAS
No
Molecular Formula
C4H9CL2NO
Molecular Weight
158.020000
Exact Mass
157.006119
InChI
InChI=1S/C4H8ClNO.ClH/c1-4(2,6)3(5)7;/h6H2,1-2H3;1H
InChIKey
PUBNSQUKVSQJPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.37
TPSA
43.09
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
0.91
Consensus LogP
0.87
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.04
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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