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CAS 696655-62-6 N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide molecular structure lightbox
CAS RN: 696655-62-6

N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide

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3 package records0 with current stock1 grade group
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Batchno.20260404 10mg Out of stock Inquiry
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  • Product code: starshine_CAS696655-62-6
  • Purity/Analytical Methods: >99.0%
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696655-62-6 / N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide

Standard CAS: 696655-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
696655-62-6
Multi CAS
No
Molecular Formula
C18H15NO4
Molecular Weight
309.300000
Exact Mass
309.100108
InChI
InChI=1S/C18H15NO4/c1-11(20)19-16-14-5-3-4-6-15(14)23-18(16)17(21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20)
InChIKey
NQZBUYPGHZTWIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.94
TPSA
68.54

LogP / Solubility

WLOGP
3.63
MLOGP
3.21
XLogP3
3.7
Consensus LogP
3.51
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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