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CAS 1020-83-3 1,8-dioxacyclotetradecane-2,9-dione molecular structure lightbox
CAS RN: 1020-83-3

1,8-dioxacyclotetradecane-2,9-dione

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 100mg Out of stock Inquiry
Batchno.20250528 1g Out of stock Inquiry
Batchno.20260309 250mg Out of stock Inquiry
Batchno.20260202 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1020-83-3
  • Purity/Analytical Methods: >99.0%
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1020-83-3 / 1,8-dioxacyclotetradecane-2,9-dione

1,8-dioxacyclotetradecane-2,9-dione | DTXSID20446481 | cyclic dicaprolactone

Standard CAS: 1020-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1020-83-3
Multi CAS
No
Molecular Formula
C12H20O4
Molecular Weight
228.280000
Exact Mass
228.136159
SMILES
C1CCC(=O)OCCCCCC(=O)OCC1
InChI
InChI=1S/C12H20O4/c13-11-7-3-1-5-9-15-12(14)8-4-2-6-10-16-11/h1-10H2
InChIKey
NUTDOUGNQAMWBU-UHFFFAOYSA-N
Synonyms
1,8-dioxacyclotetradecane-2,9-dione DTXSID20446481 cyclic dicaprolactone RefChem:73765 DTXCID60397302

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
H-bond acceptors
4
Molar refractivity
58.85
TPSA
52.6

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.8
Consensus LogP
1.99
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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)
-2.55

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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