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CAS 1100753-07-8 7-Oxa-4-azaspiro[2.5]octan-5-one molecular structure lightbox
CAS RN: 1100753-07-8

7-Oxa-4-azaspiro[2.5]octan-5-one

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250718 100mg In stock Shanghai Inquiry
Batchno.20251231 1g In stock Shanghai Inquiry
Batchno.20250307 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260520 50mg / 250mg Out of stock 15 business days Inquiry
Batchno.20250818 5g In stock Shanghai Inquiry
  • Product code: SSC-011323
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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 1100753-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1100753-07-8 / 7-oxa-4-azaspiro[2.5]octan-5-one

7-Oxa-4-azaspiro[2.5]octan-5-one | DTXSID00743546 | 7-Oxa-4-azaspiro(2.5)octan-5-one

Standard CAS: 1100753-07-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1100753-07-8
Multi CAS
No
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
SMILES
C1CC12COCC(=O)N2
InChI
InChI=1S/C6H9NO2/c8-5-3-9-4-6(7-5)1-2-6/h1-4H2,(H,7,8)
InChIKey
MRQICWAEJUUHEU-UHFFFAOYSA-N
Synonyms
7-Oxa-4-azaspiro[2.5]octan-5-one DTXSID00743546 7-Oxa-4-azaspiro(2.5)octan-5-one RefChem:311176 DTXCID90694290

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.93
TPSA
38.33

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.3
XLogP3
-0.4
Consensus LogP
-0.34
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very 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)
-3.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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