![CAS 1427325-83-4 1-[1-(5-hydroxypentyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427325-83-4.gif)
CAS RN: 1427325-83-4
1-[1-(5-hydroxypentyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427325-83-4
- Purity/Analytical Methods: >99.0%
1427325-83-4 / 1-[1-(5-hydroxypentyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone
Basic Information
CAS
1427325-83-4
Multi CAS
No
Molecular Formula
C22H25NO3
Molecular Weight
351.400000
Exact Mass
351.183444
SMILES
COC1=CC=CC=C1CC(=O)C2=CN(C3=CC=CC=C32)CCCCCO
InChI
InChI=1S/C22H25NO3/c1-26-22-12-6-3-9-17(22)15-21(25)19-16-23(13-7-2-8-14-24)20-11-5-4-10-18(19)20/h3-6,9-12,16,24H,2,7-8,13-15H2,1H3
InChIKey
BEAGHVHOGRTTHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.9
TPSA
51.46
LogP / Solubility
WLOGP
4.24
MLOGP
3.75
XLogP3
3.6
Consensus LogP
3.86
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
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
Yes
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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