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CAS 1246034-32-1 1-(2,6-dichloropyriMidin-4-yl)ethanone molecular structure lightbox
CAS RN: 1246034-32-1

1-(2,6-dichloropyriMidin-4-yl)ethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-028599
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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 1246034-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1246034-32-1 / 1-(2,6-dichloropyrimidin-4-yl)ethanone

Standard CAS: 1246034-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246034-32-1
Multi CAS
No
Molecular Formula
C6H4Cl2N2O
Molecular Weight
191.010000
Exact Mass
189.970068
SMILES
CC(=O)C1=CC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C6H4Cl2N2O/c1-3(11)4-2-5(7)10-6(8)9-4/h2H,1H3
InChIKey
QWFPWSVCWFERSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.06
TPSA
42.85

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
2.1
Consensus LogP
1.95
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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