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CAS 1152964-31-2 3′-Fluoro-4′-(1H-pyrazol-1-yl)acetophenone molecular structure lightbox
CAS RN: 1152964-31-2

3′-Fluoro-4′-(1H-pyrazol-1-yl)acetophenone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-015047
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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: 1g, 5g, 25g, 0.1g, 0.25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 1152964-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

1152964-31-2 / 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanone

3'-Fluoro-4'-(1-pyrazolyl)acetophenone | 3'-FLUORO-4'-(1H-PYRAZOL-1-YL)ACETOPHENONE | 1-(3-Fluoro-4-(1H-pyrazol-1-yl)phenyl)ethanone

Standard CAS: 1152964-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152964-31-2
Multi CAS
No
Molecular Formula
C11H9FN2O
Molecular Weight
204.200000
Exact Mass
204.069891
SMILES
CC(=O)C1=CC(=C(C=C1)N2C=CC=N2)F
InChI
InChI=1S/C11H9FN2O/c1-8(15)9-3-4-11(10(12)7-9)14-6-2-5-13-14/h2-7H,1H3
InChIKey
GEYFXUVQFYDULL-UHFFFAOYSA-N
Synonyms
3'-Fluoro-4'-(1-pyrazolyl)acetophenone 3'-FLUORO-4'-(1H-PYRAZOL-1-YL)ACETOPHENONE 1-(3-Fluoro-4-(1H-pyrazol-1-yl)phenyl)ethanone 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanone MFCD11136849

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.53
TPSA
34.89

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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