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CAS 116632-58-7 8-BROMOQUINOLIN-5-AMINE molecular structure lightbox
CAS RN: 116632-58-7

8-BROMOQUINOLIN-5-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250223 250mg / 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016584
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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, 1g, 5g, 10g
  • 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 116632-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

116632-58-7 / 8-bromoquinolin-5-amine

8-Bromoquinolin-5-amine | 5-AMINO-8-BROMOQUINOLINE | 5-Quinolinamine, 8-bromo-

Standard CAS: 116632-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116632-58-7
Multi CAS
No
Molecular Formula
C9H7BrN2
Molecular Weight
223.070000
Exact Mass
221.979260
SMILES
C1=CC2=C(C=CC(=C2N=C1)Br)N
InChI
InChI=1S/C9H7BrN2/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H,11H2
InChIKey
UNFYSPONYGTMNH-UHFFFAOYSA-N
Synonyms
8-Bromoquinolin-5-amine 5-AMINO-8-BROMOQUINOLINE 5-Quinolinamine, 8-bromo- MFCD11110428 8-bromo-5-quinolylamine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.86
TPSA
38.91

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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