CAS RN: 39086-61-8
2-chloro-N-ethylacetanilide
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.20260429 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS39086-61-8
- Purity/Analytical Methods: >99.0%
39086-61-8 / 2-chloro-N-ethyl-N-phenylacetamide
Basic Information
CAS
39086-61-8
Multi CAS
Yes
Molecular Formula
C10H12CLNO
Molecular Weight
197.660000
Exact Mass
197.060742
InChI
InChI=1S/C10H12ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
JJZBASRBEGDLNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
55.19
TPSA
20.31
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.31
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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