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CAS 33900-74-2 2,3,4′-Trihydroxy-3′,5′-dimethoxypropiophene molecular structure lightbox
CAS RN: 33900-74-2

2,3,4′-Trihydroxy-3′,5′-dimethoxypropiophene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS33900-74-2
  • Purity/Analytical Methods: >99.0%
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33900-74-2 / 2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one

Standard CAS: 33900-74-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33900-74-2
Multi CAS
No
Molecular Formula
C11H14O6
Molecular Weight
242.220000
Exact Mass
242.079038
InChI
InChI=1S/C11H14O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,12-13,15H,5H2,1-2H3
InChIKey
QJWLBLCJYZLCLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
58.63
TPSA
96.22

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.1
Consensus LogP
-0.06
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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