CAS RN: 25870-73-9
(2E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250217 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS25870-73-9
- Purity/Analytical Methods: >99.0%
25870-73-9 / 1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Basic Information
CAS
25870-73-9
Multi CAS
No
Molecular Formula
C16H15NO2
Molecular Weight
253.290000
Exact Mass
253.110279
SMILES
COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H15NO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,17H2,1H3
InChIKey
QIFZZXZSSXRDOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.21
TPSA
52.32
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
2.4
Consensus LogP
2.79
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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