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CAS 175136-80-8 2-(2,4-DICHLOROPHENOXY)BENZONITRILE molecular structure lightbox
CAS RN: 175136-80-8

2-(2,4-DICHLOROPHENOXY)BENZONITRILE

  • Product code: SSC-076793
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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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 175136-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Hong Kong Inquiry

175136-80-8 / 2-(2,4-dichlorophenoxy)benzonitrile

Standard CAS: 175136-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175136-80-8
Multi CAS
No
Molecular Formula
C13H7Cl2NO
Molecular Weight
264.100000
Exact Mass
262.990469
SMILES
C1=CC=C(C(=C1)C#N)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H7Cl2NO/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h1-7H
InChIKey
UTLUAJUFCRYPDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.69
TPSA
33.02

LogP / Solubility

WLOGP
4.66
MLOGP
4.11
XLogP3
4.4
Consensus LogP
4.39
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02

Drug-likeness / Medicinal Chemistry

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

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