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CAS 757239-67-1 1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 4-hydroxy-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 757239-67-1

1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 4-hydroxy-, 1,1-diMethylethyl ester

  • Product code: SSC-185184
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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 757239-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

757239-67-1 / tert-butyl 4-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Standard CAS: 757239-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
757239-67-1
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-7-5-13(6-8-14)10(15)4-9-17-13/h10,15H,4-9H2,1-3H3
InChIKey
CQVZWCSKELNHRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.35
TPSA
59

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
0.8
Consensus LogP
1.23
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

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

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