![CAS 1373233-45-4 N-[(4-Fluorophenyl)(4-Methoxyphenyl)Methyl]acetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373233-45-4(2).gif)
CAS RN: 1373233-45-4
N-[(4-Fluorophenyl)(4-Methoxyphenyl)Methyl]acetaMide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1373233-45-4
- Purity/Analytical Methods: >99.0%
1373233-45-4 / N-[(4-fluorophenyl)-(4-methoxyphenyl)methyl]acetamide
Basic Information
CAS
1373233-45-4
Multi CAS
No
Molecular Formula
C16H16FNO2
Molecular Weight
273.300000
Exact Mass
273.116507
SMILES
CC(=O)NC(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H16FNO2/c1-11(19)18-16(12-3-7-14(17)8-4-12)13-5-9-15(20-2)10-6-13/h3-10,16H,1-2H3,(H,18,19)
InChIKey
AYXQCBCMUIHVBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.05
TPSA
38.33
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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