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CAS 898044-50-3 4-CHLORO-5-FLUORO-2-METHYL-PYRIMIDINE molecular structure lightbox
CAS RN: 898044-50-3

4-CHLORO-5-FLUORO-2-METHYL-PYRIMIDINE

  • Product code: SSC-201873
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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: 5g, 10g, 25g
  • 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 898044-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

898044-50-3 / 4-chloro-5-fluoro-2-methylpyrimidine

Standard CAS: 898044-50-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
898044-50-3
Multi CAS
Yes
Molecular Formula
C5H4CLFN2
Molecular Weight
146.550000
Exact Mass
146.004704
InChI
InChI=1S/C5H4ClFN2/c1-3-8-2-4(7)5(6)9-3/h2H,1H3
InChIKey
QSFGQHQXDKLATK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
31.74
TPSA
25.78

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
1.7
Consensus LogP
1.55
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.49

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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