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CAS 778-97-2 Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate molecular structure lightbox
CAS RN: 778-97-2

Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250907 1g In stock Inquiry
Batchno.20250311 250mg In stock Inquiry
Batchno.20260314 50mg In stock Inquiry
  • Product code: SSC-187327
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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: ≥98%
  • 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 778-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

778-97-2 / ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate

Standard CAS: 778-97-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
778-97-2
Multi CAS
Yes
Molecular Formula
C9H13N3O2S
Molecular Weight
227.290000
Exact Mass
227.072848
InChI
InChI=1S/C9H13N3O2S/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKey
ODFLPYCOQXPONS-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
6
H-bond donors
1
Molar refractivity
58.8
TPSA
78.1

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
1.8
Consensus LogP
1.45
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-3.15

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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