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CAS 94112-58-0 8-PHENYL-1,4-DIOXASPIRO[4,5]DECAN-8-OL molecular structure lightbox
CAS RN: 94112-58-0

8-PHENYL-1,4-DIOXASPIRO[4,5]DECAN-8-OL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS94112-58-0
  • Purity/Analytical Methods: >99.0%
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94112-58-0 / 8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol

Standard CAS: 94112-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94112-58-0
Multi CAS
No
Molecular Formula
C14H18O3
Molecular Weight
234.290000
Exact Mass
234.125594
InChI
InChI=1S/C14H18O3/c15-13(12-4-2-1-3-5-12)6-8-14(9-7-13)16-10-11-17-14/h1-5,15H,6-11H2
InChIKey
JUTTXLGMDSGZCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.44
TPSA
38.69

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
1.6
Consensus LogP
1.91
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-2.59

Drug-likeness / Medicinal Chemistry

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

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