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CAS 1432754-30-7 2-bromo-4-(difluoromethoxy)-5-fluoropyridine molecular structure lightbox
CAS RN: 1432754-30-7

2-bromo-4-(difluoromethoxy)-5-fluoropyridine

  • Product code: SSC-054677
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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 1432754-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1432754-30-7 / 2-bromo-4-(difluoromethoxy)-5-fluoropyridine

Standard CAS: 1432754-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1432754-30-7
Multi CAS
No
Molecular Formula
C6H3BrF3NO
Molecular Weight
241.990000
Exact Mass
240.935010
SMILES
C1=C(C(=CN=C1Br)F)OC(F)F
InChI
InChI=1S/C6H3BrF3NO/c7-5-1-4(12-6(9)10)3(8)2-11-5/h1-2,6H
InChIKey
WBRZLZRCHCFZEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.53
TPSA
22.12

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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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