CAS RN: 1217706-03-0
(S)-tert-Butyl 2-(diMethylcarbaMoyl)piperazine-1-carboxylate hydrochloride
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.20250315 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217706-03-0
- Purity/Analytical Methods: >99.0%
1217706-03-0 / tert-butyl (2S)-2-(dimethylcarbamoyl)piperazine-1-carboxylate;hydrochloride
Basic Information
CAS
1217706-03-0
Multi CAS
No
Molecular Formula
C12H24ClN3O3
Molecular Weight
293.790000
Exact Mass
293.150619
SMILES
CC(C)(C)OC(=O)N1CCNC[C@H]1C(=O)N(C)C.Cl
InChI
InChI=1S/C12H23N3O3.ClH/c1-12(2,3)18-11(17)15-7-6-13-8-9(15)10(16)14(4)5;/h9,13H,6-8H2,1-5H3;1H/t9-;/m0./s1
InChIKey
LBCLBCRUJZYOOS-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.54
TPSA
61.88
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1217710-80-9 3-[[(tert-Butoxy)carbonyl]amino]-1-piperidinecarboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1217710-80-9.gif)