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CAS 205114-19-8 3-bromoquinoline-6-carbonitrile molecular structure lightbox
CAS RN: 205114-19-8

3-bromoquinoline-6-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-096513
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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: 0.25g
  • 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 205114-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

205114-19-8 / 3-bromoquinoline-6-carbonitrile

Standard CAS: 205114-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205114-19-8
Multi CAS
No
Molecular Formula
C10H5BrN2
Molecular Weight
233.060000
Exact Mass
231.963610
SMILES
C1=CC2=NC=C(C=C2C=C1C#N)Br
InChI
InChI=1S/C10H5BrN2/c11-9-4-8-3-7(5-12)1-2-10(8)13-6-9/h1-4,6H
InChIKey
MNDUNONVTLIGOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
54.16
TPSA
36.68

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
3
Consensus LogP
2.8
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.1

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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