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CAS 883870-28-8 Methyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate molecular structure lightbox
CAS RN: 883870-28-8

Methyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate

  • Product code: SSC-198997
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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: 0.25g
  • 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 883870-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

883870-28-8 / methyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate

Standard CAS: 883870-28-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
883870-28-8
Multi CAS
Yes
Molecular Formula
C7H6CL2N2O2S
Molecular Weight
253.110000
Exact Mass
251.952704
InChI
InChI=1S/C7H6Cl2N2O2S/c1-13-6(12)3-4(8)10-7(14-2)11-5(3)9/h1-2H3
InChIKey
XURMLXHLZQXOFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
55.17
TPSA
52.08

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.8
Consensus LogP
2.37
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.64

Drug-likeness / Medicinal Chemistry

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

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