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CAS 150986-83-7 TERT-BUTYL 2-AMINO-3-CYANO-4,7-DIHYDROTHIENO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE molecular structure lightbox
CAS RN: 150986-83-7

TERT-BUTYL 2-AMINO-3-CYANO-4,7-DIHYDROTHIENO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250218 250mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-060859
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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: ≥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 150986-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

150986-83-7 / tert-butyl 2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Standard CAS: 150986-83-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150986-83-7
Multi CAS
No
Molecular Formula
C13H17N3O2S
Molecular Weight
279.360000
Exact Mass
279.104148
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)N
InChI
InChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)16-5-4-8-9(6-14)11(15)19-10(8)7-16/h4-5,7,15H2,1-3H3
InChIKey
HFWVFBQVIXKINU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.79
TPSA
79.35

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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