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CAS 2564-05-8 2-CHLORO-N-(3-CHLOROPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 2564-05-8

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2564-05-8
  • Purity/Analytical Methods: >99.0%
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2564-05-8 / 2-chloro-N-(3-chlorophenyl)acetamide

Standard CAS: 2564-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2564-05-8
Multi CAS
No
Molecular Formula
C8H7Cl2NO
Molecular Weight
204.050000
Exact Mass
202.990469
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)CCl
InChI
InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
InChIKey
KNVBYGNINQITJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.8
TPSA
29.1

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.18

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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