CAS RN: 914458-19-8
Naphthalen-1-yl(1-pentyl-5-phenyl-1H-pyrrol-3-yl)Methanone
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.20250717 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS914458-19-8
- Purity/Analytical Methods: >99.0%
914458-19-8 / naphthalen-1-yl-(1-pentyl-5-phenylpyrrol-3-yl)methanone
Basic Information
CAS
914458-19-8
Multi CAS
No
Molecular Formula
C26H25NO
Molecular Weight
367.500000
Exact Mass
367.193614
InChI
InChI=1S/C26H25NO/c1-2-3-9-17-27-19-22(18-25(27)21-12-5-4-6-13-21)26(28)24-16-10-14-20-11-7-8-15-23(20)24/h4-8,10-16,18-19H,2-3,9,17H2,1H3
InChIKey
JLXYYSHMURZHKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
116.77
TPSA
22
LogP / Solubility
WLOGP
6.73
MLOGP
5.94
XLogP3
6.6
Consensus LogP
6.42
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.47
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)
-0.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 914458-26-7 [5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914458-26-7.gif)
