CAS RN: 209414-06-2
1-Naphthalenyl(1-propyl-1H-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.20260406 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS209414-06-2
- Purity/Analytical Methods: >99.0%
209414-06-2 / naphthalen-1-yl-(1-propylindol-3-yl)methanone
Basic Information
CAS
209414-06-2
Multi CAS
No
Molecular Formula
C22H19NO
Molecular Weight
313.400000
Exact Mass
313.146664
SMILES
CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H19NO/c1-2-14-23-15-20(18-11-5-6-13-21(18)23)22(24)19-12-7-9-16-8-3-4-10-17(16)19/h3-13,15H,2,14H2,1H3
InChIKey
IVLWWVXVWRIXSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
19
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
99.61
TPSA
22
LogP / Solubility
WLOGP
5.44
MLOGP
4.8
XLogP3
5.4
Consensus LogP
5.21
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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