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CAS 956505-57-0 1-PHENYL-3-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-1H-PYRAZOL-5-AMINE molecular structure lightbox
CAS RN: 956505-57-0

1-PHENYL-3-(5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-1H-PYRAZOL-5-AMINE

  • Product code: SSC-211189
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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 956505-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

956505-57-0 / 1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-amine

Standard CAS: 956505-57-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956505-57-0
Multi CAS
No
Molecular Formula
C19H19N3
Molecular Weight
289.400000
Exact Mass
289.157898
InChI
InChI=1S/C19H19N3/c20-19-13-18(21-22(19)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-3,8-13H,4-7,20H2
InChIKey
ACFDSTIGSDIANU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.05
TPSA
43.84

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
4.6
Consensus LogP
4.04
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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