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CAS 29571-44-6 5-PYRIMIDINEACETIC ACID, 3,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-, ETHYL ESTER molecular structure lightbox
CAS RN: 29571-44-6

5-PYRIMIDINEACETIC ACID, 3,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-, ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-132565
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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 29571-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

29571-44-6 / ethyl 2-(2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetate

Standard CAS: 29571-44-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29571-44-6
Multi CAS
Yes
Molecular Formula
C9H12N2O3S
Molecular Weight
228.270000
Exact Mass
228.056863
InChI
InChI=1S/C9H12N2O3S/c1-3-14-7(12)4-6-5-10-9(15-2)11-8(6)13/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKey
GKBOFJXGVIZNBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.98
TPSA
72.05

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.4
Consensus LogP
0.51
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-3.69

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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