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CAS 1050590-34-5 5-METHYL-ISOXAZOL-3-YLMETHYLAMINE HCL molecular structure lightbox
CAS RN: 1050590-34-5

5-METHYL-ISOXAZOL-3-YLMETHYLAMINE HCL

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251103 100mg In stock Shanghai Inquiry
Batchno.20260503 1g In stock Shanghai Inquiry
Batchno.20260316 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250716 5g Out of stock Inquiry
  • Product code: SSC-006837
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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 1050590-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1050590-34-5 / (5-methyl-1,2-oxazol-3-yl)methanamine;hydrochloride

(5-METHYLISOXAZOL-3-YL)METHANAMINE HYDROCHLORIDE | (5-methylisoxazol-3-yl)methylamine hydrochloride | MFCD00464228

Standard CAS: 1050590-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1050590-34-5
Multi CAS
No
Molecular Formula
C5H9ClN2O
Molecular Weight
148.590000
Exact Mass
148.040341
SMILES
CC1=CC(=NO1)CN.Cl
InChI
InChI=1S/C5H8N2O.ClH/c1-4-2-5(3-6)7-8-4;/h2H,3,6H2,1H3;1H
InChIKey
MSPVDXJVBWNBIA-UHFFFAOYSA-N
Synonyms
(5-METHYLISOXAZOL-3-YL)METHANAMINE HYDROCHLORIDE (5-methylisoxazol-3-yl)methylamine hydrochloride MFCD00464228 5-METHYL-ISOXAZOL-3-YLMETHYLAMINE HCL C-(5-METHYL-ISOXAZOL-3-YL)-METHYLAMINE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.38
TPSA
52.05

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.86
Consensus LogP
0.82
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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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