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CAS 1523618-27-0 ETHYL 2-(3-AMINOOXETAN-3-YL)ACETATE OXALATE molecular structure lightbox
CAS RN: 1523618-27-0

ETHYL 2-(3-AMINOOXETAN-3-YL)ACETATE OXALATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 100mg Out of stock 1 business days Inquiry
  • Product code: SSC-062238
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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 1523618-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1523618-27-0 / bis(ethyl 2-(3-aminooxetan-3-yl)acetate);oxalic acid

Standard CAS: 1523618-27-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523618-27-0
Multi CAS
No
Molecular Formula
C16H28N2O10
Molecular Weight
408.400000
Exact Mass
408.174395
SMILES
CCOC(=O)CC1(COC1)N.CCOC(=O)CC1(COC1)N.C(=O)(C(=O)O)O
InChI
InChI=1S/2C7H13NO3.C2H2O4/c2*1-2-11-6(9)3-7(8)4-10-5-7;3-1(4)2(5)6/h2*2-5,8H2,1H3;(H,3,4)(H,5,6)
InChIKey
QJUWQJRTMRXSBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
4
Molar refractivity
93.25
TPSA
197.7

LogP / Solubility

WLOGP
-1.51
MLOGP
-1.3
XLogP3
-1.51
Consensus LogP
-1.44
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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