CAS RN: 479075-72-4

N-(4-(benzyloxy)phenyl)formamide

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  • Product code: starshine_CAS479075-72-4
  • Purity/Analytical Methods: >99.0%
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479075-72-4 / N-(4-phenylmethoxyphenyl)formamide

Standard CAS: 479075-72-4 Multi CAS: No

Basic Information

CAS
479075-72-4
Multi CAS
No
Molecular Formula
C14H13NO2
Molecular Weight
227.260000
Exact Mass
227.094629
InChI
InChI=1S/C14H13NO2/c16-11-15-13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,15,16)
InChIKey
SLEFQQUQJDZLBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.9
TPSA
38.33

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
3
Consensus LogP
2.78
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

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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