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CAS 120553-05-1 3-FLUORO-3′-METHOXYBENZOPHENONE molecular structure lightbox
CAS RN: 120553-05-1

3-FLUORO-3′-METHOXYBENZOPHENONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS120553-05-1
  • Purity/Analytical Methods: >99.0%
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120553-05-1 / (3-fluorophenyl)-(3-methoxyphenyl)methanone

3-FLUORO-3'-METHOXYBENZOPHENONE | (3-fluorophenyl)-(3-methoxyphenyl)methanone | MFCD01311552

Standard CAS: 120553-05-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120553-05-1
Multi CAS
Yes
Molecular Formula
C14H11FO2
Molecular Weight
230.230000
Exact Mass
230.074308
SMILES
COC1=CC=CC(=C1)C(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C14H11FO2/c1-17-13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10/h2-9H,1H3
InChIKey
VEVUNNOCPNIWQE-UHFFFAOYSA-N
Synonyms
3-FLUORO-3'-METHOXYBENZOPHENONE (3-fluorophenyl)-(3-methoxyphenyl)methanone MFCD01311552 (3-Fluorophenyl)(3-methoxyphenyl)methanone 3-Fluoro-3/'-methoxybenzophenone

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
62.83
TPSA
26.3

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
3.6
Consensus LogP
3.12
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

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

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