CAS RN: 23886-71-7
4-METHOXY-4′-METHYLBENZOPHENONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250705 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS23886-71-7
- Purity/Analytical Methods: >99.0%
23886-71-7 / (4-methoxyphenyl)-(4-methylphenyl)methanone
Basic Information
CAS
23886-71-7
Multi CAS
No
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H14O2/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10H,1-2H3
InChIKey
IHMWJDNMIIEDDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.61
TPSA
26.3
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
4
Consensus LogP
3.36
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-1.8
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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