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CAS 1193334-86-9 4-Bromo-1-cyclopropylpyridin-2(1H)-one molecular structure lightbox
CAS RN: 1193334-86-9

4-Bromo-1-cyclopropylpyridin-2(1H)-one

  • Product code: SSC-019878
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • 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 1193334-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry
10g >95% 1 In Stock Shenzhen Inquiry

1193334-86-9 / 4-bromo-1-cyclopropylpyridin-2-one

4-BROMO-1-CYCLOPROPYLPYRIDIN-2(1H)-ONE | RefChem:518958 | 694-998-0

Standard CAS: 1193334-86-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1193334-86-9
Multi CAS
No
Molecular Formula
C8H8BrNO
Molecular Weight
214.060000
Exact Mass
212.978930
SMILES
C1CC1N2C=CC(=CC2=O)Br
InChI
InChI=1S/C8H8BrNO/c9-6-3-4-10(7-1-2-7)8(11)5-6/h3-5,7H,1-2H2
InChIKey
UHJGCHDQKZZFTN-UHFFFAOYSA-N
Synonyms
4-BROMO-1-CYCLOPROPYLPYRIDIN-2(1H)-ONE RefChem:518958 694-998-0 MFCD16996102 2(1H)-Pyridinone, 4-bromo-1-cyclopropyl-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.67
TPSA
22

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.4
Consensus LogP
1.69
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.64

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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