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CAS 1374652-34-2 2-chloro-1-(5-chloro-3-fluoropyridin-2-yl)ethanone molecular structure lightbox
CAS RN: 1374652-34-2

2-chloro-1-(5-chloro-3-fluoropyridin-2-yl)ethanone

  • Product code: SSC-047041
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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: 1g
  • Available purity: ＞97%
  • 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 1374652-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1374652-34-2 / 2-chloro-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone

Standard CAS: 1374652-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374652-34-2
Multi CAS
No
Molecular Formula
C7H4Cl2FNO
Molecular Weight
208.010000
Exact Mass
206.965397
SMILES
C1=C(C=NC(=C1F)C(=O)CCl)Cl
InChI
InChI=1S/C7H4Cl2FNO/c8-2-6(12)7-5(10)1-4(9)3-11-7/h1,3H,2H2
InChIKey
XZYAGJZPXNLQKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.26
TPSA
29.96

LogP / Solubility

WLOGP
2.3
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.36

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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