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CAS 2222-15-3 4-(4-Methoxyphenyl)butyraMide molecular structure lightbox
CAS RN: 2222-15-3

4-(4-Methoxyphenyl)butyraMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2222-15-3
  • Purity/Analytical Methods: >99.0%
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2222-15-3 / 4-(4-methoxyphenyl)butanamide

Standard CAS: 2222-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2222-15-3
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
COC1=CC=C(C=C1)CCCC(=O)N
InChI
InChI=1S/C11H15NO2/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H2,12,13)
InChIKey
VBHLGXLPPGNNIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.13
TPSA
52.32

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

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

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