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CAS 473732-80-8 1-CYCLOPROPYL-1-THIEN-2-YLMETHANAMINE molecular structure lightbox
CAS RN: 473732-80-8

1-CYCLOPROPYL-1-THIEN-2-YLMETHANAMINE

  • Product code: SSC-154290
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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 473732-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

473732-80-8 / cyclopropyl(thiophen-2-yl)methanamine

Standard CAS: 473732-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
473732-80-8
Multi CAS
No
Molecular Formula
C8H11NS
Molecular Weight
153.250000
Exact Mass
153.061221
InChI
InChI=1S/C8H11NS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6,8H,3-4,9H2
InChIKey
AAQQXHHWWFZBRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.97
TPSA
26.02

LogP / Solubility

WLOGP
2.16
MLOGP
1.89
XLogP3
1.3
Consensus LogP
1.78
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.12

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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