CAS RN: 1438278-55-7
7′-methoxy NABUTIE
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.20250524 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1438278-55-7
- Purity/Analytical Methods: >99.0%
1438278-55-7 / 1-(1-butyl-7-methoxyindol-3-yl)-2-naphthalen-1-ylethanone
Basic Information
CAS
1438278-55-7
Multi CAS
No
Molecular Formula
C25H25NO2
Molecular Weight
371.500000
Exact Mass
371.188529
SMILES
CCCCN1C=C(C2=C1C(=CC=C2)OC)C(=O)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H25NO2/c1-3-4-15-26-17-22(21-13-8-14-24(28-2)25(21)26)23(27)16-19-11-7-10-18-9-5-6-12-20(18)19/h5-14,17H,3-4,15-16H2,1-2H3
InChIKey
AEKYOIGTEGFYSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
115.38
TPSA
31.23
LogP / Solubility
WLOGP
6.03
MLOGP
5.33
XLogP3
5.7
Consensus LogP
5.69
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
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)
-0.71
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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