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CAS 1523571-87-0 1-(Azetidin-3-yl)-3-fluoroazetidine oxalate molecular structure lightbox
CAS RN: 1523571-87-0

1-(Azetidin-3-yl)-3-fluoroazetidine oxalate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-062167
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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: 0.25g
  • 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 1523571-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1523571-87-0 / 1-(azetidin-3-yl)-3-fluoroazetidine;oxalic acid

Standard CAS: 1523571-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523571-87-0
Multi CAS
No
Molecular Formula
C8H13FN2O4
Molecular Weight
220.200000
Exact Mass
220.085935
SMILES
C1C(CN1)N2CC(C2)F.C(=O)(C(=O)O)O
InChI
InChI=1S/C6H11FN2.C2H2O4/c7-5-3-9(4-5)6-1-8-2-6;3-1(4)2(5)6/h5-6,8H,1-4H2;(H,3,4)(H,5,6)
InChIKey
KULNGYZKHKDASO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
48.4
TPSA
89.87

LogP / Solubility

WLOGP
-1.23
MLOGP
-1.08
XLogP3
-1.23
Consensus LogP
-1.18
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very 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)
-4.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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