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CAS 7152-40-1 5-AMINO-4-CYANO-3-CYANOMETHYL-1-PHENYLPYRAZOLE molecular structure lightbox
CAS RN: 7152-40-1

5-AMINO-4-CYANO-3-CYANOMETHYL-1-PHENYLPYRAZOLE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250130 1g In stock Inquiry
Batchno.20250128 25g In stock Inquiry
Batchno.20251218 5g In stock Inquiry
  • Product code: SSC-181123
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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: 5g
  • Available purity: ＞97%
  • 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 7152-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

7152-40-1 / 5-amino-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile

Standard CAS: 7152-40-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7152-40-1
Multi CAS
Yes
Molecular Formula
C12H9N5
Molecular Weight
223.230000
Exact Mass
223.085795
InChI
InChI=1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2
InChIKey
GUHSDYKJSKLWJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.01
TPSA
91.42

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.5
Consensus LogP
1.37
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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