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CAS 1057217-63-6 7-BroMoquinoline-2-carboxylic acid molecular structure lightbox
CAS RN: 1057217-63-6

7-BroMoquinoline-2-carboxylic acid

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 1g In stock Inquiry
Batchno.20260412 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 250mg / 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-007428
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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: ＞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 1057217-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1057217-63-6 / 7-bromoquinoline-2-carboxylic acid

7-Bromoquinoline-2-carboxylic acid | DTXSID60652867 | RefChem:310491

Standard CAS: 1057217-63-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1057217-63-6
Multi CAS
No
Molecular Formula
C10H6BrNO2
Molecular Weight
252.060000
Exact Mass
250.958190
SMILES
C1=CC(=CC2=C1C=CC(=N2)C(=O)O)Br
InChI
InChI=1S/C10H6BrNO2/c11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7/h1-5H,(H,13,14)
InChIKey
PLRDUYBIGUGOKD-UHFFFAOYSA-N
Synonyms
7-Bromoquinoline-2-carboxylic acid DTXSID60652867 RefChem:310491 DTXCID60603617 MFCD11108693

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.4
TPSA
50.19

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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