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CAS 4394-26-7 1-(THIEN-2-YLMETHYL)-1H-PYRAZOL-5-AMINE molecular structure lightbox
CAS RN: 4394-26-7

1-(THIEN-2-YLMETHYL)-1H-PYRAZOL-5-AMINE

  • Product code: SSC-152005
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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 4394-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

4394-26-7 / 2-(thiophen-2-ylmethyl)pyrazol-3-amine

Standard CAS: 4394-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4394-26-7
Multi CAS
No
Molecular Formula
C8H9N3S
Molecular Weight
179.240000
Exact Mass
179.051718
InChI
InChI=1S/C8H9N3S/c9-8-3-4-10-11(8)6-7-2-1-5-12-7/h1-5H,6,9H2
InChIKey
KFEVMOCBDLBBKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.06
TPSA
43.84

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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