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CAS 132973-51-4 DiMethyl 2-(Methylthio)pyriMidine-4,5-dicarboxylate molecular structure lightbox
CAS RN: 132973-51-4

DiMethyl 2-(Methylthio)pyriMidine-4,5-dicarboxylate

  • Product code: SSC-039654
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 132973-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry

132973-51-4 / dimethyl 2-methylsulfanylpyrimidine-4,5-dicarboxylate

Standard CAS: 132973-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132973-51-4
Multi CAS
No
Molecular Formula
C9H10N2O4S
Molecular Weight
242.250000
Exact Mass
242.036128
SMILES
COC(=O)C1=CN=C(N=C1C(=O)OC)SC
InChI
InChI=1S/C9H10N2O4S/c1-14-7(12)5-4-10-9(16-3)11-6(5)8(13)15-2/h4H,1-3H3
InChIKey
RNPZWHNWKHSOFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
56.49
TPSA
78.38

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
1.1
Consensus LogP
0.85
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.65

Drug-likeness / Medicinal Chemistry

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

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