CAS RN: 2746-07-8
2-chloro-N-ethyl-N-methylacetamide
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.20250301 | 100g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2746-07-8
- Purity/Analytical Methods: >99.0%
2746-07-8 / 2-chloro-N-ethyl-N-methylacetamide
Basic Information
CAS
2746-07-8
Multi CAS
No
Molecular Formula
C5H10ClNO
Molecular Weight
135.590000
Exact Mass
135.045092
SMILES
CCN(C)C(=O)CCl
InChI
InChI=1S/C5H10ClNO/c1-3-7(2)5(8)4-6/h3-4H2,1-2H3
InChIKey
YBYWLBWGIPIYIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
34.03
TPSA
20.31
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.05
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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