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CAS 1189106-78-2 6-Bromo-2,8-dimethylquinoline molecular structure lightbox
CAS RN: 1189106-78-2

6-Bromo-2,8-dimethylquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251216 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-019132
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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 1189106-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1189106-78-2 / 6-bromo-2,8-dimethylquinoline

6-Bromo-2,8-dimethylquinoline | MFCD12675070 | 6-bromo-2,8-dimethyl-quinoline

Standard CAS: 1189106-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189106-78-2
Multi CAS
No
Molecular Formula
C11H10BrN
Molecular Weight
236.110000
Exact Mass
234.999660
SMILES
CC1=NC2=C(C=C1)C=C(C=C2C)Br
InChI
InChI=1S/C11H10BrN/c1-7-5-10(12)6-9-4-3-8(2)13-11(7)9/h3-6H,1-2H3
InChIKey
RZJSSQBKYWNNAW-UHFFFAOYSA-N
Synonyms
6-Bromo-2,8-dimethylquinoline MFCD12675070 6-bromo-2,8-dimethyl-quinoline DTXSID10670995 AKOS022889327

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
58.92
TPSA
12.89

LogP / Solubility

WLOGP
3.61
MLOGP
3.18
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

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

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