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CAS 5650-43-1 1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- molecular structure lightbox
CAS RN: 5650-43-1

1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 1mg / 2mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5650-43-1
  • Purity/Analytical Methods: >99.0%
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5650-43-1 / 1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

Standard CAS: 5650-43-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5650-43-1
Multi CAS
Yes
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
InChI
InChI=1S/C11H14O4/c1-4-8(12)7-5-9(14-2)11(13)10(6-7)15-3/h5-6,13H,4H2,1-3H3
InChIKey
CXCPJZXJNRBTGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.83
TPSA
55.76

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
0.7
Consensus LogP
1.49
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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)
-2.58

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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