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CAS 135631-90-2 6-BROMO-3,4-DIHYDRO-4,4-DIMETHYLQUINOLIN-2(1H)-ONE molecular structure lightbox
CAS RN: 135631-90-2

6-BROMO-3,4-DIHYDRO-4,4-DIMETHYLQUINOLIN-2(1H)-ONE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 1g In stock Inquiry
Batchno.20250512 250mg In stock Inquiry
Batchno.20250224 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-044150
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 135631-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry

135631-90-2 / 6-bromo-4,4-dimethyl-1,3-dihydroquinolin-2-one

Standard CAS: 135631-90-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135631-90-2
Multi CAS
No
Molecular Formula
C11H12BrNO
Molecular Weight
254.120000
Exact Mass
253.010230
SMILES
CC1(CC(=O)NC2=C1C=C(C=C2)Br)C
InChI
InChI=1S/C11H12BrNO/c1-11(2)6-10(14)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKey
FTRFIBKHXWYJAW-UHFFFAOYSA-N

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
60.41
TPSA
29.1

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
2.6
Consensus LogP
2.79
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.09

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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