CAS RN: 99585-88-3
2-CHLORO-N-(4-CHLOROBENZYL)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.20260528 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS99585-88-3
- Purity/Analytical Methods: >99.0%
99585-88-3 / 2-chloro-N-[(4-chlorophenyl)methyl]acetamide
Basic Information
CAS
99585-88-3
Multi CAS
Yes
Molecular Formula
C9H9CL2NO
Molecular Weight
218.080000
Exact Mass
217.006119
InChI
InChI=1S/C9H9Cl2NO/c10-5-9(13)12-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)
InChIKey
OGCPMNAEQFAPHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.02
TPSA
29.1
LogP / Solubility
WLOGP
2.2
MLOGP
1.93
XLogP3
2.3
Consensus LogP
2.14
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.49
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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