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CAS 845827-13-6 PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)- molecular structure lightbox
CAS RN: 845827-13-6

PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)-

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 1g In stock Inquiry
Batchno.20251011 250mg In stock Inquiry
Batchno.20260115 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250402 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250121 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251006 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250826 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-192138
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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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 845827-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 3 In Stock Shenzhen Inquiry

845827-13-6 / 2-bromo-3,4-difluoroaniline

Standard CAS: 845827-13-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
845827-13-6
Multi CAS
Yes
Molecular Formula
BC6H4NRf2
Molecular Weight
208.000000
Exact Mass
206.949520
InChI
InChI=1S/C6H4BrF2N/c7-4-1-2-5(6(8)9)10-3-4/h1-3,6H
InChIKey
QXLZRIGSWWQOLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.47
TPSA
26.02

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.35

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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