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CAS 6223-31-0 2-hydroxy-6-Methoxy-1,4-dihydronaphthalene-1,4-dione molecular structure lightbox
CAS RN: 6223-31-0

2-hydroxy-6-Methoxy-1,4-dihydronaphthalene-1,4-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6223-31-0
  • Purity/Analytical Methods: >99.0%
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6223-31-0 / 4-hydroxy-6-methoxynaphthalene-1,2-dione

Standard CAS: 6223-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6223-31-0
Multi CAS
No
Molecular Formula
C11H8O4
Molecular Weight
204.180000
Exact Mass
204.042259
InChI
InChI=1S/C11H8O4/c1-15-6-2-3-7-8(4-6)9(12)5-10(13)11(7)14/h2-5,12H,1H3
InChIKey
NHDJZQSOUDOKRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.94
TPSA
63.6

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
0.8
Consensus LogP
1.12
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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