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CAS 69480-06-4 1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)ethanone molecular structure lightbox
CAS RN: 69480-06-4

1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS69480-06-4
  • Purity/Analytical Methods: >99.0%
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69480-06-4 / 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)ethanone

Standard CAS: 69480-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69480-06-4
Multi CAS
No
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-5-8(14-3)4-7(12)9(6(2)11)10(5)13/h4,12-13H,1-3H3
InChIKey
LWIPTFGZKUVFKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.07
TPSA
66.76

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.77

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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