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CAS 25742-28-3 Methyl 6-chloro-2-(Methylsulfonyl)pyriMidine-4-carboxylate molecular structure lightbox
CAS RN: 25742-28-3

Methyl 6-chloro-2-(Methylsulfonyl)pyriMidine-4-carboxylate

  • Product code: SSC-122230
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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: ＞97%
  • 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 25742-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

25742-28-3 / methyl 6-chloro-2-methylsulfonylpyrimidine-4-carboxylate

Standard CAS: 25742-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25742-28-3
Multi CAS
No
Molecular Formula
C7H7ClN2O4S
Molecular Weight
250.660000
Exact Mass
249.981506
SMILES
COC(=O)C1=CC(=NC(=N1)S(=O)(=O)C)Cl
InChI
InChI=1S/C7H7ClN2O4S/c1-14-6(11)4-3-5(8)10-7(9-4)15(2,12)13/h3H,1-2H3
InChIKey
FSQBCNBFHWRUGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
51.49
TPSA
86.22

LogP / Solubility

WLOGP
0.32
MLOGP
0.29
XLogP3
0.9
Consensus LogP
0.5
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02

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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