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CAS 86860-67-5 5-Isoxazoleethanol,3-amino–bta-,-bta–dimethyl-(9CI) molecular structure lightbox
CAS RN: 86860-67-5

5-Isoxazoleethanol,3-amino–bta-,-bta–dimethyl-(9CI)

  • Product code: SSC-196163
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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: 10g
  • 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 86860-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

86860-67-5 / 2-(3-amino-1,2-oxazol-5-yl)-2-methylpropan-1-ol

Standard CAS: 86860-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86860-67-5
Multi CAS
No
Molecular Formula
C7H12N2O2
Molecular Weight
156.180000
Exact Mass
156.089878
InChI
InChI=1S/C7H12N2O2/c1-7(2,4-10)5-3-6(8)9-11-5/h3,10H,4H2,1-2H3,(H2,8,9)
InChIKey
YCOAZGLRGGYBTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.03
TPSA
72.28

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.5
Consensus LogP
0.5
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.3

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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