CAS RN: 1438393-12-4
YVQUDJUGLPUGDQ-JTQLQIEISA-N
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.20260425 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1438393-12-4
- Purity/Analytical Methods: >99.0%
1438393-12-4 / ditert-butyl (2S)-2-carbamoylpiperazine-1,4-dicarboxylate
Basic Information
CAS
1438393-12-4
Multi CAS
No
Molecular Formula
C15H27N3O5
Molecular Weight
329.390000
Exact Mass
329.195071
SMILES
CC(C)(C)OC(=O)N1CCN([C@@H](C1)C(=O)N)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H27N3O5/c1-14(2,3)22-12(20)17-7-8-18(10(9-17)11(16)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H2,16,19)/t10-/m0/s1
InChIKey
YVQUDJUGLPUGDQ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.73
TPSA
102.17
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
0.8
Consensus LogP
1.1
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
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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