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CAS 42831-50-5 5-Methylisoxazole-4-carboxylic Acid molecular structure lightbox
CAS RN: 42831-50-5

5-Methylisoxazole-4-carboxylic Acid

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 100g In stock Wuhan, Chengdu Inquiry
Batchno.20250801 10g In stock Shanghai Inquiry
Batchno.20251013 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251009 500g Out of stock Inquiry
Batchno.20260304 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-151098
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 42831-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

42831-50-5 / 5-methyl-1,2-oxazole-3-carboxylic acid

Standard CAS: 42831-50-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42831-50-5
Multi CAS
Yes
Molecular Formula
C5H5NO3
Molecular Weight
127.100000
Exact Mass
127.026943
InChI
InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
InChIKey
BNMPIJWVMVNSRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.2
TPSA
63.33

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
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)
-3.01

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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