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CAS 6953-61-3 1-Naphthohydroxamic Acid molecular structure lightbox
CAS RN: 6953-61-3

1-Naphthohydroxamic Acid

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 1g In stock Inquiry
Batchno.20250201 250mg In stock Inquiry
Batchno.20251202 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTN0023
  • Purity/Analytical Methods: >98.0%(T)
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6953-61-3 / N-hydroxynaphthalene-1-carboxamide

Standard CAS: 6953-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6953-61-3
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
InChI
InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
InChIKey
JRZGPWOEHDOVMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.2
TPSA
49.33

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
2.4
Consensus LogP
2.03
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

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