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CAS 17700-54-8 2,6-DICHLOROACETANILIDE molecular structure lightbox
CAS RN: 17700-54-8

2,6-DICHLOROACETANILIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17700-54-8
  • Purity/Analytical Methods: >99.0%
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17700-54-8 / N-(2,6-dichlorophenyl)acetamide

Standard CAS: 17700-54-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17700-54-8
Multi CAS
No
Molecular Formula
C8H7Cl2NO
Molecular Weight
204.050000
Exact Mass
202.990469
SMILES
CC(=O)NC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C8H7Cl2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey
DWVWVSLAIJHBBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.77
TPSA
29.1

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
1.3
Consensus LogP
2.28
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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