CAS RN: 335161-19-8
5-(3-(1-naphthoyl)-1H-indol-1-yl)pentanenitrile
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.20250906 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS335161-19-8
- Purity/Analytical Methods: >99.0%
335161-19-8 / 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanenitrile
Basic Information
CAS
335161-19-8
Multi CAS
No
Molecular Formula
C24H20N2O
Molecular Weight
352.400000
Exact Mass
352.157563
InChI
InChI=1S/C24H20N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,16H2
InChIKey
VWVAIBKHFCUSMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
19
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
108.78
TPSA
45.79
LogP / Solubility
WLOGP
5.72
MLOGP
5.05
XLogP3
4.9
Consensus LogP
5.22
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.81
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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