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CAS 58094-17-0 4,5,6,7-Tetrahydro-1-benzothiophen-4-amine molecular structure lightbox
CAS RN: 58094-17-0

4,5,6,7-Tetrahydro-1-benzothiophen-4-amine

  • Product code: SSC-166301
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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 58094-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

58094-17-0 / 4,5,6,7-tetrahydro-1-benzothiophen-4-amine

Standard CAS: 58094-17-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58094-17-0
Multi CAS
Yes
Molecular Formula
C8H11NS
Molecular Weight
153.250000
Exact Mass
153.061221
InChI
InChI=1S/C8H11NS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
InChIKey
VPBWFYNSOJYNJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.19
TPSA
26.02

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
1.3
Consensus LogP
1.74
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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