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CAS 1045709-32-7 2-Oxa-6-azaspiro[3.3]heptane hemioxalate molecular structure lightbox
CAS RN: 1045709-32-7

2-Oxa-6-azaspiro[3.3]heptane hemioxalate

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 100g In stock Shanghai Inquiry
Batchno.20250308 10g In stock Shanghai, Wuhan Inquiry
Batchno.20260508 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260129 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250510 25g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250627 500g In stock Shanghai Inquiry
Batchno.20260701 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-006336
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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: 10g, 25g, 100g
  • 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 1045709-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

1045709-32-7 / bis(2-oxa-6-azaspiro[3.3]heptane);oxalic acid

2-oxa-6-azaspiro[3.3]heptane hemioxalate | 2-Oxa-6-azaspiro(3.3)heptane hemioxalate | RefChem:477347

Standard CAS: 1045709-32-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1045709-32-7
Multi CAS
Yes
Molecular Formula
C12H20N2O6
Molecular Weight
288.300000
Exact Mass
288.132136
SMILES
C1C2(CN1)COC2.C1C2(CN1)COC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C5H9NO.C2H2O4/c2*1-5(2-6-1)3-7-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6)
InChIKey
RXBYDYSXIHJXNO-UHFFFAOYSA-N
Synonyms
2-oxa-6-azaspiro[3.3]heptane hemioxalate 2-Oxa-6-azaspiro(3.3)heptane hemioxalate RefChem:477347 800-606-2 2-Oxa-6-azaspiro[3.3]heptane oxalate (2:1)

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
67.52
TPSA
117.12

LogP / Solubility

WLOGP
-1.63
MLOGP
-1.43
XLogP3
-1.63
Consensus LogP
-1.56
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
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)
-5.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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