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CAS 74786-53-1 2′-METHOXY-2-METHYLPROPIOPHENONE molecular structure lightbox
CAS RN: 74786-53-1

2′-METHOXY-2-METHYLPROPIOPHENONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74786-53-1
  • Purity/Analytical Methods: >99.0%
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74786-53-1 / 1-(2-methoxyphenyl)-2-methylpropan-1-one

Standard CAS: 74786-53-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74786-53-1
Multi CAS
Yes
Molecular Formula
C11H14O2
Molecular Weight
178.230000
Exact Mass
178.099380
InChI
InChI=1S/C11H14O2/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-8H,1-3H3
InChIKey
QPKMJKGNHMQLPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
52.16
TPSA
26.3

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.9
Consensus LogP
2.55
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-2.01

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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