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CAS 60598-74-5 ethyl 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate molecular structure lightbox
CAS RN: 60598-74-5

ethyl 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

  • Product code: SSC-169199
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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 60598-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

60598-74-5 / ethyl 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Standard CAS: 60598-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60598-74-5
Multi CAS
No
Molecular Formula
C10H11N3O2S
Molecular Weight
237.280000
Exact Mass
237.057198
InChI
InChI=1S/C10H11N3O2S/c1-3-15-10(14)7-5(2)6-8(11)12-4-13-9(6)16-7/h4H,3H2,1-2H3,(H2,11,12,13)
InChIKey
HWZSSWNTLPLHMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
62.52
TPSA
78.1

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

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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