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CAS 1186663-58-0 3′-Bromo-4′-(1H-pyrazol-1-yl)acetophenone molecular structure lightbox
CAS RN: 1186663-58-0

3′-Bromo-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.20251231 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018590
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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: 5g, 1g, 25g, 0.1g, 0.25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1186663-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 4 In Stock Beijing Inquiry
1g -- 3 In Stock Beijing Inquiry
25g -- 3 In Stock Beijing Inquiry
25g >97% 3 In Stock Shanghai Inquiry
0.1g -- 0 Out of Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Beijing Inquiry
0.25g -- 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

1186663-58-0 / 1-(3-bromo-4-pyrazol-1-ylphenyl)ethanone

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

Standard CAS: 1186663-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186663-58-0
Multi CAS
No
Molecular Formula
C11H9BrN2O
Molecular Weight
265.110000
Exact Mass
263.989830
SMILES
CC(=O)C1=CC(=C(C=C1)N2C=CC=N2)Br
InChI
InChI=1S/C11H9BrN2O/c1-8(15)9-3-4-11(10(12)7-9)14-6-2-5-13-14/h2-7H,1H3
InChIKey
PAPYMNCCLIZDLM-UHFFFAOYSA-N
Synonyms
3'-Bromo-4'-(1-pyrazolyl)acetophenone 1-(3-Bromo-4-(1H-pyrazol-1-yl)phenyl)ethanone 3'-BROMO-4'-(1H-PYRAZOL-1-YL)ACETOPHENONE MFCD11656810 1-(3-bromo-4-pyrazol-1-ylphenyl)ethanone

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
61.27
TPSA
34.89

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2.3
Consensus LogP
2.55
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

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