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CAS 1375064-55-3 5-(2-Pyrazinyl)isoxazole-3-carboxylic Acid molecular structure lightbox
CAS RN: 1375064-55-3

5-(2-Pyrazinyl)isoxazole-3-carboxylic Acid

  • Product code: SSC-047153
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1375064-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1375064-55-3 / 5-pyrazin-2-yl-1,2-oxazole-3-carboxylic acid

Standard CAS: 1375064-55-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1375064-55-3
Multi CAS
No
Molecular Formula
C8H5N3O3
Molecular Weight
191.140000
Exact Mass
191.033091
SMILES
C1=CN=C(C=N1)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C8H5N3O3/c12-8(13)5-3-7(14-11-5)6-4-9-1-2-10-6/h1-4H,(H,12,13)
InChIKey
LGEIAXHZEBTDSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.49
TPSA
89.11

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
-0.2
Consensus LogP
0.45
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.3

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
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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