CAS RN: 345-89-1
4-Fluoro-4′-methoxybenzophenone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250811 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS345-89-1
- Purity/Analytical Methods: >99.0%
345-89-1 / (4-fluorophenyl)-(4-methoxyphenyl)methanone
Basic Information
CAS
345-89-1
Multi CAS
Yes
Molecular Formula
C14FH11O2
Molecular Weight
230.230000
Exact Mass
230.074308
InChI
InChI=1S/C14H11FO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
InChIKey
VWGWRNBIAWTWIB-UHFFFAOYSA-N
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
3.5
Consensus LogP
3.09
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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