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CAS 31329-64-3 3,5-Dimethyl-4-isoxazolamine molecular structure lightbox
CAS RN: 31329-64-3

3,5-Dimethyl-4-isoxazolamine

  • Product code: SSC-136651
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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: 5g
  • 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 31329-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

31329-64-3 / 3,5-dimethyl-1,2-oxazol-4-amine

Standard CAS: 31329-64-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31329-64-3
Multi CAS
No
Molecular Formula
C5H8N2O
Molecular Weight
112.130000
Exact Mass
112.063663
InChI
InChI=1S/C5H8N2O/c1-3-5(6)4(2)8-7-3/h6H2,1-2H3
InChIKey
INSUSOZBMWJGDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.39
TPSA
52.05

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.5
Consensus LogP
0.71
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-2.78

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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