CAS RN: 205517-34-6
(R)-N,N’-Bis(p-methoxybenzyl)-3-isopropyl-piperazine-2,5-dione
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.20250207 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS205517-34-6
- Purity/Analytical Methods: >99.0%
205517-34-6 / (3R)-1,4-bis[(4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
Basic Information
CAS
205517-34-6
Multi CAS
No
Molecular Formula
C23H28N2O4
Molecular Weight
396.500000
Exact Mass
396.204907
SMILES
CC(C)[C@@H]1C(=O)N(CC(=O)N1CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H28N2O4/c1-16(2)22-23(27)24(13-17-5-9-19(28-3)10-6-17)15-21(26)25(22)14-18-7-11-20(29-4)12-8-18/h5-12,16,22H,13-15H2,1-4H3/t22-/m1/s1
InChIKey
KFDFRWYJTUSDJG-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
110.58
TPSA
59.08
LogP / Solubility
WLOGP
3.1
MLOGP
2.75
XLogP3
3.4
Consensus LogP
3.08
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
