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CAS 4743-54-8 8-Oxabicyclo[4.3.0]nonane molecular structure lightbox
CAS RN: 4743-54-8

8-Oxabicyclo[4.3.0]nonane

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260315 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS4743-54-8
  • Purity/Analytical Methods: >99.0%
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4743-54-8 / 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran

Standard CAS: 4743-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4743-54-8
Multi CAS
No
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
InChI
InChI=1S/C8H14O/c1-2-4-8-6-9-5-7(8)3-1/h7-8H,1-6H2
InChIKey
HGQBCKVFVUCIML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
36.27
TPSA
9.23

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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