![CAS 57221-63-3 2-[3-(4-HYDROXYPHENYL)ACRYLOYL]NAPHTHALENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57221-63-3.gif)
CAS RN: 57221-63-3
2-[3-(4-HYDROXYPHENYL)ACRYLOYL]NAPHTHALENE
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.20250228 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57221-63-3
- Purity/Analytical Methods: >99.0%
57221-63-3 / 3-(4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
Basic Information
CAS
57221-63-3
Multi CAS
Yes
Molecular Formula
C19H14O2
Molecular Weight
274.300000
Exact Mass
274.099380
InChI
InChI=1S/C19H14O2/c20-18-10-5-14(6-11-18)7-12-19(21)17-9-8-15-3-1-2-4-16(15)13-17/h1-13,20H/b12-7+
InChIKey
VUXHIPRYBOEAAE-KPKJPENVSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.42
TPSA
37.3
LogP / Solubility
WLOGP
4.44
MLOGP
3.92
XLogP3
4.6
Consensus LogP
4.32
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24
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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