CAS RN: 1384268-90-9
(R)-TERT-BUTYL 4-BENZYL-3-(HYDROXYMETHYL)-5-OXOPIPERAZINE-1-CARBOXYLATE
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.20250225 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1384268-90-9
- Purity/Analytical Methods: >99.0%
1384268-90-9 / tert-butyl (3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazine-1-carboxylate
Basic Information
CAS
1384268-90-9
Multi CAS
No
Molecular Formula
C17H24N2O4
Molecular Weight
320.400000
Exact Mass
320.173607
SMILES
CC(C)(C)OC(=O)N1C[C@@H](N(C(=O)C1)CC2=CC=CC=C2)CO
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-10-14(12-20)19(15(21)11-18)9-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3/t14-/m1/s1
InChIKey
YOFQVFLXONCCSB-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
85.67
TPSA
70.08
LogP / Solubility
WLOGP
1.63
MLOGP
1.45
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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