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CAS RN: 1427325-65-2
(5-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427325-65-2
- Purity/Analytical Methods: >99.0%
1427325-65-2 / (5-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
Basic Information
CAS
1427325-65-2
Multi CAS
No
Molecular Formula
C25H25NO2
Molecular Weight
371.500000
Exact Mass
371.188529
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=C3C=CC=C4OC
InChI
InChI=1S/C25H25NO2/c1-3-4-7-16-26-17-22(19-10-5-6-14-23(19)26)25(27)21-13-8-12-20-18(21)11-9-15-24(20)28-2/h5-6,8-15,17H,3-4,7,16H2,1-2H3
InChIKey
HWBCWKTVWWHQRW-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
115.4
TPSA
31.23
LogP / Solubility
WLOGP
6.22
MLOGP
5.5
XLogP3
6.3
Consensus LogP
6.01
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
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)
-0.57
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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