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CAS 1204-75-7 3-HYDROXY-2-QUINOXALINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 1204-75-7

3-HYDROXY-2-QUINOXALINECARBOXYLIC ACID

  • Product code: SSC-021370
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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 1204-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1204-75-7 / 3-oxo-4H-quinoxaline-2-carboxylic acid

3-Hydroxy-2-quinoxalinecarboxylic acid | 3,4-Dihydro-3-oxo-2-quinoxalinecarboxylic acid | 2-Quinoxalinecarboxylic acid, 3,4-dihydro-3-oxo-

Standard CAS: 1204-75-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1204-75-7
Multi CAS
Yes
Molecular Formula
C9H6N2O3
Molecular Weight
190.160000
Exact Mass
190.037842
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-8-7(9(13)14)10-5-3-1-2-4-6(5)11-8/h1-4H,(H,11,12)(H,13,14)
InChIKey
NMOWGWOAPRKWIR-UHFFFAOYSA-N
Synonyms
3-Hydroxy-2-quinoxalinecarboxylic acid 3,4-Dihydro-3-oxo-2-quinoxalinecarboxylic acid 2-Quinoxalinecarboxylic acid, 3,4-dihydro-3-oxo- DTXSID60152852 RefChem:502353

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.32
TPSA
83.05

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
1.2
Consensus LogP
0.79
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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