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CAS 1011-47-8 1-quinolin-2-ylethanone molecular structure lightbox
CAS RN: 1011-47-8

1-quinolin-2-ylethanone

  • Product code: SSC-001969
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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: >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 1011-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Hong Kong Inquiry
0.25g >97% 3 In Stock Shanghai Inquiry
1g >97% 3 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Shenzhen Inquiry

1011-47-8 / 1-quinolin-2-ylethanone

1-(quinolin-2-yl)ethan-1-one | RefChem:428661 | 829-320-6

Standard CAS: 1011-47-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1011-47-8
Multi CAS
No
Molecular Formula
C11H9NO
Molecular Weight
171.190000
Exact Mass
171.068414
SMILES
CC(=O)C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C11H9NO/c1-8(13)10-7-6-9-4-2-3-5-11(9)12-10/h2-7H,1H3
InChIKey
UCCQXCFFHYCLEC-UHFFFAOYSA-N
Synonyms
1-(quinolin-2-yl)ethan-1-one RefChem:428661 829-320-6 1-(QUINOLIN-2-YL)ETHANONE 1-quinolin-2-ylethanone

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.75
TPSA
29.96

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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