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CAS 23595-42-8 2-CHLORO-N-(2,4,5-TRICHLOROPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 23595-42-8

2-CHLORO-N-(2,4,5-TRICHLOROPHENYL)ACETAMIDE

  • Product code: SSC-114811
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23595-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry

23595-42-8 / 2-chloro-N-(2,4,5-trichlorophenyl)acetamide

Standard CAS: 23595-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23595-42-8
Multi CAS
No
Molecular Formula
C8H5Cl4NO
Molecular Weight
272.900000
Exact Mass
272.909574
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCl
InChI
InChI=1S/C8H5Cl4NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)
InChIKey
GQRWKOPRUXSOBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.82
TPSA
29.1

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
3.6
Consensus LogP
3.6
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

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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