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CAS 214342-73-1 5-Bromo-1-methyl-3-trifluoromethyl-1H-pyridin-2-one molecular structure lightbox
CAS RN: 214342-73-1

5-Bromo-1-methyl-3-trifluoromethyl-1H-pyridin-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-102754
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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: ≥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 214342-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

214342-73-1 / 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one

Standard CAS: 214342-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214342-73-1
Multi CAS
No
Molecular Formula
C7H5BrF3NO
Molecular Weight
256.020000
Exact Mass
254.950660
SMILES
CN1C=C(C=C(C1=O)C(F)(F)F)Br
InChI
InChI=1S/C7H5BrF3NO/c1-12-3-4(8)2-5(6(12)13)7(9,10)11/h2-3H,1H3
InChIKey
UMVIWPJHQDHRMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
Molar refractivity
44.39
TPSA
22

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
1.7
Consensus LogP
1.93
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-2.74

Drug-likeness / Medicinal Chemistry

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

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