![CAS 163733-55-9 1-[4-(4-BENZYL-PIPERAZIN-1-YL)-PHENYL]-ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7350894.gif)
CAS RN: 163733-55-9
1-[4-(4-BENZYL-PIPERAZIN-1-YL)-PHENYL]-ETHANONE
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.20250621 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS163733-55-9
- Purity/Analytical Methods: >99.0%
163733-55-9 / 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone
Basic Information
CAS
163733-55-9
Multi CAS
No
Molecular Formula
C19H22N2O
Molecular Weight
294.400000
Exact Mass
294.173213
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H22N2O/c1-16(22)18-7-9-19(10-8-18)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKey
AUTPNGXKYQJLBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
90.38
TPSA
23.55
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
3
Consensus LogP
3.02
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyluridine
- CAS RN: 163759-50-0
- Product Code: SSC-071157
-
N4-Benzoyl-5′-O-DMT-2′-O-methylcytidine 3′-CE phosphoramidite
- CAS RN: 163759-94-2
- Product Code: SSC-071158
-
![CAS 163759-50-0 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methyluridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/163759-50-0.gif)
