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CAS 149771-08-4 Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate molecular structure lightbox
CAS RN: 149771-08-4

Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250924 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-059708
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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: 0.25g, 1g, 10g, 0.1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 149771-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Beijing Inquiry

149771-08-4 / diethyl 2-methylsulfanylpyrimidine-4,5-dicarboxylate

Standard CAS: 149771-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149771-08-4
Multi CAS
No
Molecular Formula
C11H14N2O4S
Molecular Weight
270.310000
Exact Mass
270.067428
SMILES
CCOC(=O)C1=CN=C(N=C1C(=O)OCC)SC
InChI
InChI=1S/C11H14N2O4S/c1-4-16-9(14)7-6-12-11(18-3)13-8(7)10(15)17-5-2/h6H,4-5H2,1-3H3
InChIKey
RVHLRUKDQWAVPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
65.73
TPSA
78.38

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.8
Consensus LogP
1.57
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
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)
-3.27

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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