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CAS 82409-18-5 4-HYDROXYTETRAHYDROISOXAZOL-2-IUM CHLORIDE molecular structure lightbox
CAS RN: 82409-18-5

4-HYDROXYTETRAHYDROISOXAZOL-2-IUM CHLORIDE

  • Product code: SSC-190565
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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 82409-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

82409-18-5 / 1,2-oxazolidin-2-ium-4-ol chloride

Standard CAS: 82409-18-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82409-18-5
Multi CAS
Yes
Molecular Formula
C3H8CLNO2
Molecular Weight
125.550000
Exact Mass
125.024356
InChI
InChI=1S/C3H7NO2.ClH/c5-3-1-4-6-2-3;/h3-5H,1-2H2;1H
InChIKey
LLCWGQYEQKYRDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
18.75
TPSA
46.07

LogP / Solubility

WLOGP
-5.14
MLOGP
-4.53
XLogP3
-5.14
Consensus LogP
-4.94
Log S (ESOL)
2.62
Class (ESOL)
Highly soluble
Log S (Ali)
3.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.79
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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