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CAS 1227582-97-9 5-Bromo-3-hydroxypicolinaldehyde molecular structure lightbox
CAS RN: 1227582-97-9

5-Bromo-3-hydroxypicolinaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-026099
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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 1227582-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1227582-97-9 / 5-bromo-3-hydroxypyridine-2-carbaldehyde

Standard CAS: 1227582-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227582-97-9
Multi CAS
No
Molecular Formula
C6H4BrNO2
Molecular Weight
202.010000
Exact Mass
200.942540
SMILES
C1=C(C=NC(=C1O)C=O)Br
InChI
InChI=1S/C6H4BrNO2/c7-4-1-6(10)5(3-9)8-2-4/h1-3,10H
InChIKey
FWVMLYGHSQNLDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.99
TPSA
50.19

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.5
Consensus LogP
1.35
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.99

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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