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CAS 138964-51-9 6-Bromo-1H-quinoline-2,4-dione molecular structure lightbox
CAS RN: 138964-51-9

6-Bromo-1H-quinoline-2,4-dione

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250901 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250429 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250522 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250804 25g In stock Shanghai Inquiry
Batchno.20260213 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS138964-51-9
  • Purity/Analytical Methods: >99.0%
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138964-51-9 / 6-bromo-1H-quinoline-2,4-dione

Standard CAS: 138964-51-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138964-51-9
Multi CAS
No
Molecular Formula
C9H6BrNO2
Molecular Weight
240.050000
Exact Mass
238.958190
SMILES
C1C(=O)C2=C(C=CC(=C2)Br)NC1=O
InChI
InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-3H,4H2,(H,11,13)
InChIKey
VWPAGBJORSHCDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.72
TPSA
46.17

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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