CAS RN: 6336-34-1

4,4′-Oxybis[benzamide]

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  • Product code: starshine_CAS6336-34-1
  • Purity/Analytical Methods: >99.0%
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6336-34-1 / 4-(4-carbamoylphenoxy)benzamide

Standard CAS: 6336-34-1 Multi CAS: Yes

Basic Information

CAS
6336-34-1
Multi CAS
Yes
Molecular Formula
C14H12N2O3
Molecular Weight
256.260000
Exact Mass
256.084792
InChI
InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKey
XZRCQWLPMXFGHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.99
TPSA
95.41

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.2
Consensus LogP
1.45
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

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

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