CAS RN: 1427325-81-2
(4-ethylnaphthalen-1-yl)-(5-hydroxy-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.20250212 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427325-81-2
- Purity/Analytical Methods: >99.0%
1427325-81-2 / (4-ethylnaphthalen-1-yl)-(5-hydroxy-1-pentylindol-3-yl)methanone
Basic Information
CAS
1427325-81-2
Multi CAS
No
Molecular Formula
C26H27NO2
Molecular Weight
385.500000
Exact Mass
385.204179
SMILES
CCCCCN1C=C(C2=C1C=CC(=C2)O)C(=O)C3=CC=C(C4=CC=CC=C43)CC
InChI
InChI=1S/C26H27NO2/c1-3-5-8-15-27-17-24(23-16-19(28)12-14-25(23)27)26(29)22-13-11-18(4-2)20-9-6-7-10-21(20)22/h6-7,9-14,16-17,28H,3-5,8,15H2,1-2H3
InChIKey
HNBLEUDMHIXXJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
19
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
119.89
TPSA
42.23
LogP / Solubility
WLOGP
6.48
MLOGP
5.73
XLogP3
6.8
Consensus LogP
6.34
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
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)
-0.47
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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