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CAS 342602-27-1 Pyridine,3-bromo-5-(difluoromethoxy)- molecular structure lightbox
CAS RN: 342602-27-1

Pyridine,3-bromo-5-(difluoromethoxy)-

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251014 100mg In stock Shanghai Inquiry
Batchno.20250726 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260614 1g In stock Shanghai Inquiry
Batchno.20250222 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250429 5g In stock Shanghai Inquiry
  • Product code: SSC-140529
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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 342602-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

342602-27-1 / 3-bromo-5-(difluoromethoxy)pyridine

Standard CAS: 342602-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
342602-27-1
Multi CAS
No
Molecular Formula
BC6H4NORf2
Molecular Weight
224.000000
Exact Mass
222.944430
InChI
InChI=1S/C6H4BrF2NO/c7-4-1-5(3-10-2-4)11-6(8)9/h1-3,6H
InChIKey
PGQKUYBGLPHSLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.57
TPSA
22.12

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.35

Drug-likeness / Medicinal Chemistry

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

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