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CAS 184488-19-5 (S)-2-((2-FLUOROPHENOXY)METHYL)OXIRANE molecular structure lightbox
CAS RN: 184488-19-5

(S)-2-((2-FLUOROPHENOXY)METHYL)OXIRANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS184488-19-5
  • Purity/Analytical Methods: >99.0%
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184488-19-5 / (2S)-2-[(2-fluorophenoxy)methyl]oxirane

Standard CAS: 184488-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
184488-19-5
Multi CAS
No
Molecular Formula
C9H9FO2
Molecular Weight
168.160000
Exact Mass
168.058658
SMILES
C1[C@H](O1)COC2=CC=CC=C2F
InChI
InChI=1S/C9H9FO2/c10-8-3-1-2-4-9(8)12-6-7-5-11-7/h1-4,7H,5-6H2/t7-/m0/s1
InChIKey
ZGBJAUZQXAADQJ-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
41.64
TPSA
21.76

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.7
Consensus LogP
1.57
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-2.61

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

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