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CAS 10484-13-6 N-(4-Methoxybenzylidene)-4-acetoxyaniline molecular structure lightbox
CAS RN: 10484-13-6

N-(4-Methoxybenzylidene)-4-acetoxyaniline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: ICTM0581
  • Purity/Analytical Methods: >99.0%(T)
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10484-13-6 / [4-[(4-methoxyphenyl)methylideneamino]phenyl] acetate

4-(((4-Methoxyphenyl)methylene)amino)phenyl acetate | 4-[[(4-methoxyphenyl)methylene]amino]phenyl acetate | RefChem:508621

Standard CAS: 10484-13-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10484-13-6
Multi CAS
No
Molecular Formula
C16H15NO3
Molecular Weight
269.290000
Exact Mass
269.105193
SMILES
CC(=O)OC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H15NO3/c1-12(18)20-16-9-5-14(6-10-16)17-11-13-3-7-15(19-2)8-4-13/h3-11H,1-2H3
InChIKey
HOYWVKUPOCFKOT-UHFFFAOYSA-N
Synonyms
4-(((4-Methoxyphenyl)methylene)amino)phenyl acetate 4-[[(4-methoxyphenyl)methylene]amino]phenyl acetate RefChem:508621 233-993-6 N-(4-Methoxybenzylidene)-4-acetoxyaniline

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
78
TPSA
47.89

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
2.8
Consensus LogP
3.05
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501

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