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CAS 30842-90-1 3-Methylisoxazole molecular structure lightbox
CAS RN: 30842-90-1

3-Methylisoxazole

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260212 100mg In stock Shanghai Inquiry
Batchno.20250703 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250716 1g In stock Shanghai Inquiry
Batchno.20260109 250mg In stock Shanghai Inquiry
Batchno.20260610 5g In stock Shanghai Inquiry
  • Product code: SSC-135940
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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 30842-90-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

30842-90-1 / 3-methyl-1,2-oxazole

Standard CAS: 30842-90-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30842-90-1
Multi CAS
Yes
Molecular Formula
C4H5NO
Molecular Weight
83.090000
Exact Mass
83.037114
InChI
InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3
InChIKey
CUMCMYMKECWGHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
21.24
TPSA
26.03

LogP / Solubility

WLOGP
0.98
MLOGP
0.85
XLogP3
0.8
Consensus LogP
0.88
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-2.53

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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