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CAS 893638-37-4 5-(2-Pyridyl)isoxazole-3-carboxylic Acid molecular structure lightbox
CAS RN: 893638-37-4

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

  • Product code: SSC-201274
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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, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 893638-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Hong Kong Inquiry

893638-37-4 / 5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid

Standard CAS: 893638-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893638-37-4
Multi CAS
No
Molecular Formula
C9H6N2O3
Molecular Weight
190.160000
Exact Mass
190.037842
InChI
InChI=1S/C9H6N2O3/c12-9(13)7-5-8(14-11-7)6-3-1-2-4-10-6/h1-5H,(H,12,13)
InChIKey
QFFJIQXUQHIATM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.69
TPSA
76.22

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
0.9
Consensus LogP
1.2
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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