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CAS 155366-01-1 8-(3,5-difluorophenyl)-1,4-dioxaspiro(4,5)decan-8-ol molecular structure lightbox
CAS RN: 155366-01-1

8-(3,5-difluorophenyl)-1,4-dioxaspiro(4,5)decan-8-ol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS155366-01-1
  • Purity/Analytical Methods: >99.0%
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155366-01-1 / 8-(3,5-difluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

Standard CAS: 155366-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155366-01-1
Multi CAS
No
Molecular Formula
C14H16F2O3
Molecular Weight
270.270000
Exact Mass
270.106751
SMILES
C1CC2(CCC1(C3=CC(=CC(=C3)F)F)O)OCCO2
InChI
InChI=1S/C14H16F2O3/c15-11-7-10(8-12(16)9-11)13(17)1-3-14(4-2-13)18-5-6-19-14/h7-9,17H,1-6H2
InChIKey
GKDZPKLOVXMPRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.36
TPSA
38.69

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
1.8
Consensus LogP
2.15
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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