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CAS 856250-59-4 2-(ChloroMethyl)-5-(trifluoroMethyl)pyridine hydrochloride molecular structure lightbox
CAS RN: 856250-59-4

2-(ChloroMethyl)-5-(trifluoroMethyl)pyridine hydrochloride

  • Product code: SSC-194106
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 856250-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

856250-59-4 / 2-(chloromethyl)-5-(trifluoromethyl)pyridine;hydrochloride

Standard CAS: 856250-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
856250-59-4
Multi CAS
No
Molecular Formula
C7H6CL2F3N
Molecular Weight
232.030000
Exact Mass
230.982939
InChI
InChI=1S/C7H5ClF3N.ClH/c8-3-6-2-1-5(4-12-6)7(9,10)11;/h1-2,4H,3H2;1H
InChIKey
LCLXKLCMJTUIRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.04
TPSA
12.89

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3.26
Consensus LogP
3.13
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.82

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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