CAS RN: 71372-40-2

3-METHOXY-3′-METHYLBENZOPHENONE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71372-40-2
  • 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

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