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CAS 2044705-13-5 2-(Difluoromethyl)-5-fluoropyridin-4-amine hydrochloride molecular structure lightbox
CAS RN: 2044705-13-5

2-(Difluoromethyl)-5-fluoropyridin-4-amine hydrochloride

  • Product code: SSC-096206
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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: ≥95%
  • 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 2044705-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2044705-13-5 / 2-(difluoromethyl)-5-fluoropyridin-4-amine;hydrochloride

Standard CAS: 2044705-13-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044705-13-5
Multi CAS
No
Molecular Formula
C6H6ClF3N2
Molecular Weight
198.570000
Exact Mass
198.017160
SMILES
C1=C(C(=CN=C1C(F)F)F)N.Cl
InChI
InChI=1S/C6H5F3N2.ClH/c7-3-2-11-5(6(8)9)1-4(3)10;/h1-2,6H,(H2,10,11);1H
InChIKey
IZVBQUUXSJHREC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.81
TPSA
38.91

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.16
Consensus LogP
2.07
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-2.4

Drug-likeness / Medicinal Chemistry

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

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