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CAS 65120-69-6 3-Chloro-5-hydroxy-7-methoxynaphthoquinone molecular structure lightbox
CAS RN: 65120-69-6

3-Chloro-5-hydroxy-7-methoxynaphthoquinone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS65120-69-6
  • Purity/Analytical Methods: >99.0%
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65120-69-6 / 2-chloro-8-hydroxy-6-methoxynaphthalene-1,4-dione

Standard CAS: 65120-69-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65120-69-6
Multi CAS
No
Molecular Formula
C11H7CLO4
Molecular Weight
238.620000
Exact Mass
238.003286
InChI
InChI=1S/C11H7ClO4/c1-16-5-2-6-8(13)4-7(12)11(15)10(6)9(14)3-5/h2-4,14H,1H3
InChIKey
CEQWFJADWPVYTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.26
TPSA
63.6

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
2.5
Consensus LogP
2.03
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.82

Drug-likeness / Medicinal Chemistry

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

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