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CAS 91969-74-3 4,5-DIMETHYL-2-METHOXYACETOPHENONE molecular structure lightbox
CAS RN: 91969-74-3

4,5-DIMETHYL-2-METHOXYACETOPHENONE

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 1g In stock Inquiry
Batchno.20260316 250mg In stock Inquiry
Batchno.20260527 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS91969-74-3
  • Purity/Analytical Methods: >99.0%
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91969-74-3 / 1-(2-methoxy-4,5-dimethylphenyl)ethanone

Standard CAS: 91969-74-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91969-74-3
Multi CAS
No
Molecular Formula
C11H14O2
Molecular Weight
178.230000
Exact Mass
178.099380
InChI
InChI=1S/C11H14O2/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6H,1-4H3
InChIKey
OSBUMVWTNSHAAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.47
TPSA
26.3

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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