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CAS 59488-80-1 Ethyl 5-AMinothieno[2,3-d]pyriMidine-6-carboxylate molecular structure lightbox
CAS RN: 59488-80-1

Ethyl 5-AMinothieno[2,3-d]pyriMidine-6-carboxylate

  • Product code: SSC-167953
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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: 0.1g, 1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 59488-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
1g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Shanghai Inquiry

59488-80-1 / ethyl 5-aminothieno[2,3-d]pyrimidine-6-carboxylate

Standard CAS: 59488-80-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59488-80-1
Multi CAS
Yes
Molecular Formula
C9H9N3O2S
Molecular Weight
223.250000
Exact Mass
223.041548
InChI
InChI=1S/C9H9N3O2S/c1-2-14-9(13)7-6(10)5-3-11-4-12-8(5)15-7/h3-4H,2,10H2,1H3
InChIKey
QSPORVCPSXHMMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
57.78
TPSA
78.1

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
2
Consensus LogP
1.58
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-3.05

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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