CAS RN: 71372-40-2
3-METHOXY-3′-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.20250201 |
100mg / 250mg / 1g |
Confirm by inquiry |
Shanghai | Inquiry |
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Product code:
starshine_CAS71372-40-2
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Purity/Analytical Methods:
>99.0%
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71372-40-2 / (3-methoxyphenyl)-(3-methylphenyl)methanone
Standard CAS: 71372-40-2
Multi CAS: Yes
Basic Information
CAS
71372-40-2
Multi CAS
Yes
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
InChI
InChI=1S/C15H14O2/c1-11-5-3-6-12(9-11)15(16)13-7-4-8-14(10-13)17-2/h3-10H,1-2H3
InChIKey
WAFZHELVLIIHQY-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
3.6
Consensus LogP
3.23
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