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CAS 265989-30-8 N-4-BENZYLOXYPHENYL ISOBUTYRYLACETAMIDE molecular structure lightbox
CAS RN: 265989-30-8

N-4-BENZYLOXYPHENYL ISOBUTYRYLACETAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS265989-30-8
  • Purity/Analytical Methods: >99.0%
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265989-30-8 / 4-methyl-3-oxo-N-(4-phenylmethoxyphenyl)pentanamide

Standard CAS: 265989-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265989-30-8
Multi CAS
No
Molecular Formula
C19H21NO3
Molecular Weight
311.400000
Exact Mass
311.152144
SMILES
CC(C)C(=O)CC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C19H21NO3/c1-14(2)18(21)12-19(22)20-16-8-10-17(11-9-16)23-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKey
OUZOXSZZTRPICC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.31
TPSA
55.4

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
4
Consensus LogP
3.73
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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