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CAS 1187933-46-5 8-Fluoro-4,4-diMethyl-1,3-dihydroquinolin-2-one molecular structure lightbox
CAS RN: 1187933-46-5

8-Fluoro-4,4-diMethyl-1,3-dihydroquinolin-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018884
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1187933-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1187933-46-5 / 8-fluoro-4,4-dimethyl-1,3-dihydroquinolin-2-one

DTXSID001223625 | 8-fluoro-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-2-one | 8-Fluoro-3,4-dihydro-4,4-dimethyl-2(1H)-quinolinone

Standard CAS: 1187933-46-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187933-46-5
Multi CAS
No
Molecular Formula
C11H12FNO
Molecular Weight
193.220000
Exact Mass
193.090292
SMILES
CC1(CC(=O)NC2=C1C=CC=C2F)C
InChI
InChI=1S/C11H12FNO/c1-11(2)6-9(14)13-10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
QXQVWZSZFKWXFW-UHFFFAOYSA-N
Synonyms
DTXSID001223625 8-fluoro-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-2-one 8-Fluoro-3,4-dihydro-4,4-dimethyl-2(1H)-quinolinone RefChem:548064 DTXCID901654900

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.67
TPSA
29.1

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2
Consensus LogP
2.2
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.16

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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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