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CAS 166757-62-6 2-Hydroxypyrimidine-5-carbaldehyde molecular structure lightbox
CAS RN: 166757-62-6

2-Hydroxypyrimidine-5-carbaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-072763
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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 166757-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

166757-62-6 / 2-oxo-1H-pyrimidine-5-carbaldehyde

Standard CAS: 166757-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166757-62-6
Multi CAS
No
Molecular Formula
C5H4N2O2
Molecular Weight
124.100000
Exact Mass
124.027277
SMILES
C1=C(C=NC(=O)N1)C=O
InChI
InChI=1S/C5H4N2O2/c8-3-4-1-6-5(9)7-2-4/h1-3H,(H,6,7,9)
InChIKey
SXSQXMJTKWVULJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.25
TPSA
62.82

LogP / Solubility

WLOGP
-0.42
MLOGP
-0.38
XLogP3
-1
Consensus LogP
-0.6
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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