CAS RN: 4038-15-7
2,4,4′-TRIMETHOXYBENZOPHENONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250615 | 10g | Out of stock | Inquiry |
- Product code: starshine_CAS4038-15-7
- Purity/Analytical Methods: >99.0%
4038-15-7 / (2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
Basic Information
CAS
4038-15-7
Multi CAS
Yes
Molecular Formula
C16H16O4
Molecular Weight
272.290000
Exact Mass
272.104859
InChI
InChI=1S/C16H16O4/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3
InChIKey
VFTDVICZBGDMMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
75.97
TPSA
44.76
LogP / Solubility
WLOGP
2.94
MLOGP
2.6
XLogP3
3.2
Consensus LogP
2.91
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.47
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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