CAS RN: 2348-82-5

2-METHOXY-1,4-NAPHTHOQUINONE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251014 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260311 1g Out of stock Inquiry
Batchno.20260222 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS2348-82-5
  • Purity/Analytical Methods: >99.0%
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2348-82-5 / 2-methoxynaphthalene-1,4-dione

Standard CAS: 2348-82-5 Multi CAS: No

Basic Information

CAS
2348-82-5
Multi CAS
No
Molecular Formula
C11H8O3
Molecular Weight
188.180000
Exact Mass
188.047344
SMILES
COC1=CC(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
InChIKey
OBGBGHKYJAOXRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.2
TPSA
43.37

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

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