CAS RN: 1384268-70-5
(R)-1-tert-Butyl 3-ethyl 4-benzyl-5-oxopiperazine-1,3-dicarboxylate
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.20250906 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926992
1384268-70-5 / 1-O-tert-butyl 3-O-ethyl (3R)-4-benzyl-5-oxopiperazine-1,3-dicarboxylate
Basic Information
CAS
1384268-70-5
Multi CAS
No
Molecular Formula
C19H26N2O5
Molecular Weight
362.400000
Exact Mass
362.184172
SMILES
CCOC(=O)[C@H]1CN(CC(=O)N1CC2=CC=CC=C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H26N2O5/c1-5-25-17(23)15-12-20(18(24)26-19(2,3)4)13-16(22)21(15)11-14-9-7-6-8-10-14/h6-10,15H,5,11-13H2,1-4H3/t15-/m1/s1
InChIKey
WZSZKHOLCUFNNX-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
95.22
TPSA
76.15
LogP / Solubility
WLOGP
2.2
MLOGP
1.95
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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