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CAS 1188365-70-9 6-bromoquinoline-5-carbonitrile molecular structure lightbox
CAS RN: 1188365-70-9

6-bromoquinoline-5-carbonitrile

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251211 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-019061
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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 1188365-70-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1188365-70-9 / 6-bromoquinoline-5-carbonitrile

6-bromoquinoline-5-carbonitrile | MFCD22683072 | SCHEMBL12986264

Standard CAS: 1188365-70-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188365-70-9
Multi CAS
No
Molecular Formula
C10H5BrN2
Molecular Weight
233.060000
Exact Mass
231.963610
SMILES
C1=CC2=C(C=CC(=C2C#N)Br)N=C1
InChI
InChI=1S/C10H5BrN2/c11-9-3-4-10-7(8(9)6-12)2-1-5-13-10/h1-5H
InChIKey
DTWHKRFZYKUTHB-UHFFFAOYSA-N
Synonyms
6-bromoquinoline-5-carbonitrile MFCD22683072 SCHEMBL12986264 DTWHKRFZYKUTHB-UHFFFAOYSA-N AKOS025404304

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
2.6
Consensus LogP
2.67
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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