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CAS 80499-32-7 2,4-Dioxaspiro[5.5]undec-8-ene, 3-(2-furanyl)- molecular structure lightbox
CAS RN: 80499-32-7

2,4-Dioxaspiro[5.5]undec-8-ene, 3-(2-furanyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 1mg / 5mg / 10mg / 20mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS80499-32-7
  • Purity/Analytical Methods: >99.0%
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80499-32-7 / 3-(furan-2-yl)-2,4-dioxaspiro[5.5]undec-9-ene

Standard CAS: 80499-32-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80499-32-7
Multi CAS
No
Molecular Formula
C13H16O3
Molecular Weight
220.260000
Exact Mass
220.109944
InChI
InChI=1S/C13H16O3/c1-2-6-13(7-3-1)9-15-12(16-10-13)11-5-4-8-14-11/h1-2,4-5,8,12H,3,6-7,9-10H2
InChIKey
ODVKSTFPQDVPJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.78
TPSA
31.6

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.1
Consensus LogP
2.61
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-1.9

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
2.5

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