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CAS 39657-45-9 Isoxazolidine Hydrochloride molecular structure lightbox
CAS RN: 39657-45-9

Isoxazolidine Hydrochloride

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250801 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260121 250mg In stock Shanghai Inquiry
Batchno.20250206 25g In stock Shanghai Inquiry
Batchno.20250627 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-147363
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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: ≥97%
  • 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 39657-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

39657-45-9 / 1,2-oxazolidine;hydrochloride

Standard CAS: 39657-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39657-45-9
Multi CAS
No
Molecular Formula
C3H8CLNO
Molecular Weight
109.550000
Exact Mass
109.029442
InChI
InChI=1S/C3H7NO.ClH/c1-2-4-5-3-1;/h4H,1-3H2;1H
InChIKey
HPIVVOQIZYNVJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
25.82
TPSA
21.26

LogP / Solubility

WLOGP
0.33
MLOGP
0.28
XLogP3
0.33
Consensus LogP
0.31
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very 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)
-3.15

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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