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CAS 1227603-05-5 3-broMo-5-fluoropyridine-2-carbaldehyde molecular structure lightbox
CAS RN: 1227603-05-5

3-broMo-5-fluoropyridine-2-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260507 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-026205
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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 1227603-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1227603-05-5 / 3-bromo-5-fluoropyridine-2-carbaldehyde

Standard CAS: 1227603-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227603-05-5
Multi CAS
No
Molecular Formula
C6H3BrFNO
Molecular Weight
204.000000
Exact Mass
202.938200
SMILES
C1=C(C=NC(=C1Br)C=O)F
InChI
InChI=1S/C6H3BrFNO/c7-5-1-4(8)2-9-6(5)3-10/h1-3H
InChIKey
NKZPLWGIXFEYFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.28
TPSA
29.96

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.4
Consensus LogP
1.59
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.69

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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