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CAS 89399-92-8 2-PHENYL-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOL-3-AMINE molecular structure lightbox
CAS RN: 89399-92-8

2-PHENYL-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOL-3-AMINE

  • Product code: SSC-201366
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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: 0.25g
  • 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 89399-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

89399-92-8 / 2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

Standard CAS: 89399-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89399-92-8
Multi CAS
No
Molecular Formula
C12H13N3
Molecular Weight
199.250000
Exact Mass
199.110947
InChI
InChI=1S/C12H13N3/c13-12-10-7-4-8-11(10)14-15(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,13H2
InChIKey
VUBNLJXWVXGFSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60
TPSA
43.84

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
2.2
Consensus LogP
1.95
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

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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