![CAS 1427521-40-1 (4-ethylnaphthalen-1-yl)-[1-(5-hydroxypentyl)indol-3-yl]methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427521-40-1.gif)
CAS RN: 1427521-40-1
(4-ethylnaphthalen-1-yl)-[1-(5-hydroxypentyl)indol-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.20250812 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427521-40-1
- Purity/Analytical Methods: >99.0%
1427521-40-1 / (4-ethylnaphthalen-1-yl)-[1-(5-hydroxypentyl)indol-3-yl]methanone
Basic Information
CAS
1427521-40-1
Multi CAS
No
Molecular Formula
C26H27NO2
Molecular Weight
385.500000
Exact Mass
385.204179
SMILES
CCC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCCO
InChI
InChI=1S/C26H27NO2/c1-2-19-14-15-23(21-11-5-4-10-20(19)21)26(29)24-18-27(16-8-3-9-17-28)25-13-7-6-12-22(24)25/h4-7,10-15,18,28H,2-3,8-9,16-17H2,1H3
InChIKey
YKJSXHMELGMWOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
19
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
119.63
TPSA
42.23
LogP / Solubility
WLOGP
5.75
MLOGP
5.08
XLogP3
5.7
Consensus LogP
5.51
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
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)
-0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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