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CAS 1378260-89-9 8-Bromoquinoxaline-6-carbox ylic acid molecular structure lightbox
CAS RN: 1378260-89-9

8-Bromoquinoxaline-6-carbox ylic acid

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250201 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250423 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250804 1g In stock Shanghai Inquiry
Batchno.20260403 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250212 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1378260-89-9
  • Purity/Analytical Methods: >99.0%
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1378260-89-9 / 8-bromoquinoxaline-6-carboxylic acid

Standard CAS: 1378260-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1378260-89-9
Multi CAS
No
Molecular Formula
C9H5BrN2O2
Molecular Weight
253.050000
Exact Mass
251.953440
SMILES
C1=CN=C2C(=CC(=CC2=N1)C(=O)O)Br
InChI
InChI=1S/C9H5BrN2O2/c10-6-3-5(9(13)14)4-7-8(6)12-2-1-11-7/h1-4H,(H,13,14)
InChIKey
YTGWEQGMSZLMDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.2
TPSA
63.08

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
1.4
Consensus LogP
1.78
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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