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CAS 1395281-64-7 3-(3,5-difluorophenyl)oxetan-3-ol molecular structure lightbox
CAS RN: 1395281-64-7

3-(3,5-difluorophenyl)oxetan-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1395281-64-7
  • Purity/Analytical Methods: >99.0%
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1395281-64-7 / 3-(3,5-difluorophenyl)oxetan-3-ol

Standard CAS: 1395281-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1395281-64-7
Multi CAS
No
Molecular Formula
C9H8F2O2
Molecular Weight
186.150000
Exact Mass
186.049236
SMILES
C1C(CO1)(C2=CC(=CC(=C2)F)F)O
InChI
InChI=1S/C9H8F2O2/c10-7-1-6(2-8(11)3-7)9(12)4-13-5-9/h1-3,12H,4-5H2
InChIKey
NZCUIDNMEKWIBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.07
TPSA
29.46

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
0.7
Consensus LogP
0.97
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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