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CAS 956159-37-8 3-(4-CYCLOHEXYLPHENYL)-1-PHENYL-1H-PYRAZOL-5-AMINE molecular structure lightbox
CAS RN: 956159-37-8

3-(4-CYCLOHEXYLPHENYL)-1-PHENYL-1H-PYRAZOL-5-AMINE

  • Product code: SSC-211118
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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 956159-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

956159-37-8 / 3-(4-cyclohexylphenyl)-1-phenylpyrazol-5-amine

Standard CAS: 956159-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956159-37-8
Multi CAS
No
Molecular Formula
C21H23N3
Molecular Weight
317.400000
Exact Mass
317.189198
InChI
InChI=1S/C21H23N3/c22-21-15-20(23-24(21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-16H,1,3-4,7-8,22H2
InChIKey
GVIJTRBXAFYKPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.24
TPSA
43.84

LogP / Solubility

WLOGP
5.17
MLOGP
4.56
XLogP3
5.7
Consensus LogP
5.14
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.99

Drug-likeness / Medicinal Chemistry

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

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