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CAS 1187932-46-2 8-Bromo-1,4,4-trimethyl-3,4-dihydro-1H-quinolin-2-one molecular structure lightbox
CAS RN: 1187932-46-2

8-Bromo-1,4,4-trimethyl-3,4-dihydro-1H-quinolin-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-018857
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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: ＞97%
  • 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 1187932-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1187932-46-2 / 8-bromo-1,4,4-trimethyl-3H-quinolin-2-one

8-BROMO-1,4,4-TRIMETHYL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE | 8-Bromo-1,4,4-trimethyl-3,4-dihydroquinolin-2(1H)-one | MFCD12913854

Standard CAS: 1187932-46-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187932-46-2
Multi CAS
No
Molecular Formula
C12H14BrNO
Molecular Weight
268.150000
Exact Mass
267.025880
SMILES
CC1(CC(=O)N(C2=C1C=CC=C2Br)C)C
InChI
InChI=1S/C12H14BrNO/c1-12(2)7-10(15)14(3)11-8(12)5-4-6-9(11)13/h4-6H,7H2,1-3H3
InChIKey
YXYICGAXRNWURI-UHFFFAOYSA-N
Synonyms
8-BROMO-1,4,4-TRIMETHYL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE 8-Bromo-1,4,4-trimethyl-3,4-dihydroquinolin-2(1H)-one MFCD12913854 8-bromo-1,4,4-trimethyl-3H-quinolin-2-one 8-Bromo-3,4-dihydro-1,4,4-trimethyl-2(1H)-quinolinone

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
1
Molar refractivity
65.2
TPSA
20.31

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
2.8
Consensus LogP
2.87
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

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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