![CAS 915725-52-9 2-[(tert-Butyl)amino]acetyl chloride hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915725-52-9.gif)
CAS RN: 915725-52-9
2-[(tert-Butyl)amino]acetyl 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.20260510 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS915725-52-9
- Purity/Analytical Methods: >99.0%
915725-52-9 / 2-(tert-butylamino)acetyl chloride;hydrochloride
Basic Information
CAS
915725-52-9
Multi CAS
Yes
Molecular Formula
C6H13CL2NO
Molecular Weight
186.080000
Exact Mass
185.037419
InChI
InChI=1S/C6H12ClNO.ClH/c1-6(2,3)8-4-5(7)9;/h8H,4H2,1-3H3;1H
InChIKey
DGVPZCIZHNTARH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.86
TPSA
29.1
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.56
Consensus LogP
1.5
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.75
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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