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CAS 78790-83-7 Ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate molecular structure lightbox
CAS RN: 78790-83-7

Ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate

  • Product code: SSC-188115
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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 78790-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

78790-83-7 / ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate

Standard CAS: 78790-83-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78790-83-7
Multi CAS
Yes
Molecular Formula
C10H10N2O2S
Molecular Weight
222.270000
Exact Mass
222.046299
InChI
InChI=1S/C10H10N2O2S/c1-2-14-10(13)9-8(11)6-3-4-12-5-7(6)15-9/h3-5H,2,11H2,1H3
InChIKey
DFIKVPXLHNEQMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.99
TPSA
65.21

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2.3
Consensus LogP
2.06
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

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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