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CAS 1392804-61-3 Methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1392804-61-3

Methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate hydrochloride

  • Product code: SSC-049734
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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: 0.25g
  • 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 1392804-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1392804-61-3 / methyl 1-oxa-8-azaspiro[4.5]decane-2-carboxylate;hydrochloride

Standard CAS: 1392804-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392804-61-3
Multi CAS
No
Molecular Formula
C10H18ClNO3
Molecular Weight
235.710000
Exact Mass
235.097521
SMILES
COC(=O)C1CCC2(O1)CCNCC2.Cl
InChI
InChI=1S/C10H17NO3.ClH/c1-13-9(12)8-2-3-10(14-8)4-6-11-7-5-10;/h8,11H,2-7H2,1H3;1H
InChIKey
VQGWSYGBHOLWKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.21
TPSA
47.56

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
0.88
Consensus LogP
0.85
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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