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CAS 14160-65-7 ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate molecular structure lightbox
CAS RN: 14160-65-7

ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14160-65-7
  • Purity/Analytical Methods: >99.0%
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14160-65-7 / ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

Standard CAS: 14160-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14160-65-7
Multi CAS
No
Molecular Formula
C11H16O5
Molecular Weight
228.240000
Exact Mass
228.099774
SMILES
CCOC(=O)C1CC2(CCC1=O)OCCO2
InChI
InChI=1S/C11H16O5/c1-2-14-10(13)8-7-11(4-3-9(8)12)15-5-6-16-11/h8H,2-7H2,1H3
InChIKey
RJAGCEMBOHFZMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.62
TPSA
61.83

LogP / Solubility

WLOGP
0.66
MLOGP
0.59
XLogP3
0.3
Consensus LogP
0.52
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.64

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
3

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