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CAS 135108-48-4 5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE molecular structure lightbox
CAS RN: 135108-48-4

5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

  • Product code: SSC-043032
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 135108-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

135108-48-4 / 5-amino-1-(2-fluorophenyl)pyrazole-4-carbonitrile

Standard CAS: 135108-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135108-48-4
Multi CAS
No
Molecular Formula
C10H7FN4
Molecular Weight
202.190000
Exact Mass
202.065474
SMILES
C1=CC=C(C(=C1)N2C(=C(C=N2)C#N)N)F
InChI
InChI=1S/C10H7FN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKey
JJKQJLDSHKDCAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.65
TPSA
67.63

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.9
Consensus LogP
1.55
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

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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