![CAS 149247-12-1 3,4-Dihydro-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1(2H)-naphthalenone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149247-12-1.gif)
CAS RN: 149247-12-1
3,4-Dihydro-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-1(2H)-naphthalenone
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250604 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS149247-12-1
- Purity/Analytical Methods: >99.0%
149247-12-1 / 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
149247-12-1
Multi CAS
No
Molecular Formula
C23H28N2O2
Molecular Weight
364.500000
Exact Mass
364.215078
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3CCC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H28N2O2/c1-27-22-9-5-4-8-21(22)25-16-14-24(15-17-25)13-12-19-11-10-18-6-2-3-7-20(18)23(19)26/h2-9,19H,10-17H2,1H3
InChIKey
PJOARVZMKMVACL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
108.85
TPSA
32.78
LogP / Solubility
WLOGP
3.65
MLOGP
3.23
XLogP3
4
Consensus LogP
3.63
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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