CAS RN: 32428-61-8

2-CHLORO-N-(3-METHYLPHENYL)ACETAMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS32428-61-8
  • Purity/Analytical Methods: >99.0%
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32428-61-8 / 2-chloro-N-(3-methylphenyl)acetamide

Standard CAS: 32428-61-8 Multi CAS: No

Basic Information

CAS
32428-61-8
Multi CAS
No
Molecular Formula
C9H10CLNO
Molecular Weight
183.630000
Exact Mass
183.045092
InChI
InChI=1S/C9H10ClNO/c1-7-3-2-4-8(5-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
GYMACIQGUHXSLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.53
TPSA
29.1

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.3

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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