![CAS 503559-84-0 4-[4-Fluoro-2-(phenylmethoxy)phenyl]-α-methyl-2,6-bis(1-methylethyl)-5-(1-propen-1-yl)-3-Pyridinemethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503559-84-0.gif)
CAS RN: 503559-84-0
4-[4-Fluoro-2-(phenylmethoxy)phenyl]-α-methyl-2,6-bis(1-methylethyl)-5-(1-propen-1-yl)-3-Pyridinemethanol
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.20250113 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS503559-84-0
- Purity/Analytical Methods: >99.0%
503559-84-0 / 1-[4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-[(E)-prop-1-enyl]-3-pyridinyl]ethanol
Basic Information
CAS
503559-84-0
Multi CAS
Yes
Molecular Formula
C29FH34NO2
Molecular Weight
447.600000
Exact Mass
447.257357
InChI
InChI=1S/C29H34FNO2/c1-7-11-24-27(26(20(6)32)29(19(4)5)31-28(24)18(2)3)23-15-14-22(30)16-25(23)33-17-21-12-9-8-10-13-21/h7-16,18-20,32H,17H2,1-6H3/b11-7+
InChIKey
HERVQUFQZXZOBU-YRNVUSSQSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.34
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
133.92
TPSA
42.35
LogP / Solubility
WLOGP
7.8
MLOGP
6.89
XLogP3
6.9
Consensus LogP
7.2
Log S (ESOL)
-7.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 503610-43-3 N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503610-43-3.gif)
![CAS 503612-76-8 1-(4-Hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503612-76-8.gif)
![CAS 503614-56-0 1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503614-56-0.gif)
![CAS 503614-91-3 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503614-91-3.gif)