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CAS 102306-78-5 6,7-DIHYDRO-4H-CYCLOPENTA[1,3]DIOXIN-5-ONE molecular structure lightbox
CAS RN: 102306-78-5

6,7-DIHYDRO-4H-CYCLOPENTA[1,3]DIOXIN-5-ONE

  • Product code: SSC-003584
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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 102306-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

102306-78-5 / 6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one

6,7-dihydrocyclopenta[d][1,3]dioxin-5(4H)-one | 6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one | 6,7-Dihydro-4H-cyclopenta[1,3]dioxin-5-one

Standard CAS: 102306-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102306-78-5
Multi CAS
No
Molecular Formula
C7H8O3
Molecular Weight
140.140000
Exact Mass
140.047344
SMILES
C1CC(=O)C2=C1OCOC2
InChI
InChI=1S/C7H8O3/c8-6-1-2-7-5(6)3-9-4-10-7/h1-4H2
InChIKey
BIZWYVHBKSEJJL-UHFFFAOYSA-N
Synonyms
6,7-dihydrocyclopenta[d][1,3]dioxin-5(4H)-one 6,7-dihydro-4H-cyclopenta[d][1,3]dioxin-5-one 6,7-Dihydro-4H-cyclopenta[1,3]dioxin-5-one 6,7-Dihydro-5(4H)-cyclopenta[1,3]dioxin-5-one MFCD00075482

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
H-bond acceptors
3
Molar refractivity
33.17
TPSA
35.53

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
-0.2
Consensus LogP
0.31
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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