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CAS 765871-54-3 Methyl 6-hydroxy-2-naphthiMidate molecular structure lightbox
CAS RN: 765871-54-3

Methyl 6-hydroxy-2-naphthiMidate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS765871-54-3
  • Purity/Analytical Methods: >99.0%
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765871-54-3 / methyl 6-hydroxynaphthalene-2-carboximidate

Standard CAS: 765871-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
765871-54-3
Multi CAS
No
Molecular Formula
C12H11NO2
Molecular Weight
201.220000
Exact Mass
201.078979
InChI
InChI=1S/C12H11NO2/c1-15-12(13)10-3-2-9-7-11(14)5-4-8(9)6-10/h2-7,13-14H,1H3
InChIKey
BFMOHRNTIFROGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.45
TPSA
53.31

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

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