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CAS 162698-21-7 Ethyl azetidine-2-carboxylate hydrochloride molecular structure lightbox
CAS RN: 162698-21-7

Ethyl azetidine-2-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250831 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-070090
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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 162698-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

162698-21-7 / ethyl azetidine-2-carboxylate;hydrochloride

Standard CAS: 162698-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162698-21-7
Multi CAS
No
Molecular Formula
C6H12ClNO2
Molecular Weight
165.620000
Exact Mass
165.055656
SMILES
CCOC(=O)C1CCN1.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-2-9-6(8)5-3-4-7-5;/h5,7H,2-4H2,1H3;1H
InChIKey
FGGSFZLUZRAVTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.29
TPSA
38.33

LogP / Solubility

WLOGP
0.33
MLOGP
0.29
XLogP3
0.33
Consensus LogP
0.32
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-3.49

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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