CAS RN: 1327310-56-4
(R)-4-benzyl-3-phenylpiperazin-2-one
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.20250909 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1327310-56-4
- Purity/Analytical Methods: >99.0%
1327310-56-4 / (3R)-4-benzyl-3-phenylpiperazin-2-one
Basic Information
CAS
1327310-56-4
Multi CAS
No
Molecular Formula
C17H18N2O
Molecular Weight
266.340000
Exact Mass
266.141913
SMILES
C1CN([C@@H](C(=O)N1)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H18N2O/c20-17-16(15-9-5-2-6-10-15)19(12-11-18-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,20)/t16-/m1/s1
InChIKey
JUWZYKUNWPTANZ-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.04
TPSA
32.34
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.6
Consensus LogP
2.35
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly 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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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