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CAS 1227562-37-9 4-Pyridinecarboxaldehyde, 5-broMo-1,2-dihydro-2-oxo- molecular structure lightbox
CAS RN: 1227562-37-9

4-Pyridinecarboxaldehyde, 5-broMo-1,2-dihydro-2-oxo-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-026003
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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 1227562-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1227562-37-9 / 5-bromo-2-oxo-1H-pyridine-4-carbaldehyde

Standard CAS: 1227562-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227562-37-9
Multi CAS
No
Molecular Formula
C6H4BrNO2
Molecular Weight
202.010000
Exact Mass
200.942540
SMILES
C1=C(C(=CNC1=O)Br)C=O
InChI
InChI=1S/C6H4BrNO2/c7-5-2-8-6(10)1-4(5)3-9/h1-3H,(H,8,10)
InChIKey
ZAJXYDFTUVDHQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.15
TPSA
49.93

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
-0.2
Consensus LogP
0.53
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-3.28

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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