CAS RN: 73685-55-9
N-BENZYL-2-CHLORO-N-ETHYL-ACETAMIDE
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.20251128 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS73685-55-9
- Purity/Analytical Methods: >99.0%
73685-55-9 / N-benzyl-2-chloro-N-ethylacetamide
Basic Information
CAS
73685-55-9
Multi CAS
No
Molecular Formula
C11H14CLNO
Molecular Weight
211.690000
Exact Mass
211.076392
InChI
InChI=1S/C11H14ClNO/c1-2-13(11(14)8-12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
OFUGAFLNLROZAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
58.25
TPSA
20.31
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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