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CAS 1392804-58-8 6-Oxa-2-aza-spiro[3.4]octane heMioxalate molecular structure lightbox
CAS RN: 1392804-58-8

6-Oxa-2-aza-spiro[3.4]octane heMioxalate

  • Product code: SSC-049733
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1392804-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1392804-58-8 / 6-oxa-2-azaspiro[3.4]octane;oxalic acid

Standard CAS: 1392804-58-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392804-58-8
Multi CAS
No
Molecular Formula
C8H13NO5
Molecular Weight
203.190000
Exact Mass
203.079373
SMILES
C1COCC12CNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/C6H11NO.C2H2O4/c1-2-8-5-6(1)3-7-4-6;3-1(4)2(5)6/h7H,1-5H2;(H,3,4)(H,5,6)
InChIKey
ZYLBDQDHPKYAOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.01
TPSA
95.86

LogP / Solubility

WLOGP
-0.85
MLOGP
-0.75
XLogP3
-0.85
Consensus LogP
-0.82
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
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)
-4.56

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
2.5

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