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CAS 106328-57-8 N-[(E)-3-(3-Phenoxyphenyl)prop-2-enyl]acetohydroxamic acid, ≥98% (HPLC) molecular structure lightbox
CAS RN: 106328-57-8

N-[(E)-3-(3-Phenoxyphenyl)prop-2-enyl]acetohydroxamic acid, ≥98% (HPLC)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 5mg Out of stock 8-10 business days Inquiry
  • Product code: LINN920917
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106328-57-8 / N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide

N-(3-phenoxycinnamyl)acetohydroxamic acid | BW4C | BW-A4C

Standard CAS: 106328-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106328-57-8
Multi CAS
Yes
Molecular Formula
C17H17NO3
Molecular Weight
283.320000
Exact Mass
283.120843
SMILES
CC(=O)N(C/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
InChIKey
CEUDWZXMLMKPNN-SOFGYWHQSA-N
Synonyms
N-(3-phenoxycinnamyl)acetohydroxamic acid BW4C BW-A4C Bwa-4C ZK4N9HRN7L

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.17
TPSA
49.77

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
2.9
Consensus LogP
3.31
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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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