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CAS 1075184-01-8 2-(Difluoromethyl)quinoline molecular structure lightbox
CAS RN: 1075184-01-8

2-(Difluoromethyl)quinoline

  • Product code: SSC-009062
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1075184-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1075184-01-8 / 2-(difluoromethyl)quinoline

2-(difluoromethyl)quinoline | DTXSID00599429 | RefChem:253782

Standard CAS: 1075184-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1075184-01-8
Multi CAS
No
Molecular Formula
C10H7F2N
Molecular Weight
179.170000
Exact Mass
179.054656
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(F)F
InChI
InChI=1S/C10H7F2N/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-6,10H
InChIKey
ZPSLQVUFNFDCGA-UHFFFAOYSA-N
Synonyms
2-(difluoromethyl)quinoline DTXSID00599429 RefChem:253782 DTXCID70550188 2-(Difluoromethy)quinoline

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.7
TPSA
12.89

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
2.8
Consensus LogP
2.92
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

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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