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CAS 26054-46-6 (+)-(1R,5S)-2-Oxabicyclo[3.3.0]oct-6-en-3-one molecular structure lightbox
CAS RN: 26054-46-6

(+)-(1R,5S)-2-Oxabicyclo[3.3.0]oct-6-en-3-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS26054-46-6
  • Purity/Analytical Methods: >99.0%
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26054-46-6 / (3aR,6aS)-3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one

Standard CAS: 26054-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26054-46-6
Multi CAS
No
Molecular Formula
C7H8O2
Molecular Weight
124.140000
Exact Mass
124.052429
SMILES
C1C=C[C@@H]2[C@H]1OC(=O)C2
InChI
InChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
InChIKey
RYBPGUMSFWGGLP-WDSKDSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.57
H-bond acceptors
2
Molar refractivity
31.74
TPSA
26.3

LogP / Solubility

WLOGP
0.88
MLOGP
0.76
XLogP3
0.8
Consensus LogP
0.81
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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