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CAS 14770-79-7 Benzo[b]thiophen-2-amine, 4,5,6,7-tetrahydro- (8CI,9CI) molecular structure lightbox
CAS RN: 14770-79-7

Benzo[b]thiophen-2-amine, 4,5,6,7-tetrahydro- (8CI,9CI)

  • Product code: SSC-058249
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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 14770-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

14770-79-7 / 4,5,6,7-tetrahydro-1-benzothiophen-2-amine

Standard CAS: 14770-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14770-79-7
Multi CAS
No
Molecular Formula
C8H11NS
Molecular Weight
153.250000
Exact Mass
153.061221
SMILES
C1CCC2=C(C1)C=C(S2)N
InChI
InChI=1S/C8H11NS/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4,9H2
InChIKey
FTGVDKSMUBJBME-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
45.37
TPSA
26.02

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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