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CAS 1105698-15-4 N-[3-[[(2-Hydroxy-1-naphthalenyl)methylene]amino]phenyl]-α-methylbenzeneacetamide molecular structure lightbox
CAS RN: 1105698-15-4

N-[3-[[(2-Hydroxy-1-naphthalenyl)methylene]amino]phenyl]-α-methylbenzeneacetamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1105698-15-4
  • Purity/Analytical Methods: >99.0%
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1105698-15-4 / N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-phenylpropanamide

RefChem:884383 | N-(3-((2-hydroxynaphthalen-1-ylmethylene)amino)phenyl)-2-phenylpropionamide | Salermide

Standard CAS: 1105698-15-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1105698-15-4
Multi CAS
Yes
Molecular Formula
C26H22N2O2
Molecular Weight
394.500000
Exact Mass
394.168128
SMILES
CC(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)N=CC3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)29/h2-18,29H,1H3,(H,28,30)
InChIKey
HQSSEGBEYORUBY-UHFFFAOYSA-N
Synonyms
RefChem:884383 N-(3-((2-hydroxynaphthalen-1-ylmethylene)amino)phenyl)-2-phenylpropionamide Salermide N-(3-(((2-Hydroxynaphthalen-1-yl)methylene)amino)phenyl)-2-phenylpropanamide N-{3-[(2-Hydroxy-naphthalen-1-ylmethylene)-amino]-phenyl}-2-phenyl-propionamide

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
122.8
TPSA
61.69

LogP / Solubility

WLOGP
6.04
MLOGP
5.34
XLogP3
5.5
Consensus LogP
5.63
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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