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CAS 263270-52-6 4-Pyrimidinecarbonyl chloride, 6-chloro- (9CI) molecular structure lightbox
CAS RN: 263270-52-6

4-Pyrimidinecarbonyl chloride, 6-chloro- (9CI)

  • Product code: SSC-123719
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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 263270-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

263270-52-6 / 6-chloropyrimidine-4-carbonyl chloride

Standard CAS: 263270-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263270-52-6
Multi CAS
No
Molecular Formula
C5H2Cl2N2O
Molecular Weight
176.990000
Exact Mass
175.954418
SMILES
C1=C(N=CN=C1Cl)C(=O)Cl
InChI
InChI=1S/C5H2Cl2N2O/c6-4-1-3(5(7)10)8-2-9-4/h1-2H
InChIKey
FAJZIXITZFFSPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.23
TPSA
42.85

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
2
Consensus LogP
1.61
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.73

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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