CAS RN: 223797-47-5
1-PIPERAZINECARBOXYLIC ACID, 4-(3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
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.20250818 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS223797-47-5
- Purity/Analytical Methods: >99.0%
223797-47-5 / tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
Basic Information
CAS
223797-47-5
Multi CAS
No
Molecular Formula
C14H21N3O2
Molecular Weight
263.340000
Exact Mass
263.163377
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=CC=C2
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-7-16(8-10-17)12-5-4-6-15-11-12/h4-6,11H,7-10H2,1-3H3
InChIKey
LZHMIBDVBBRGDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
74.26
TPSA
45.67
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
1.6
Consensus LogP
1.88
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
5,5-Dimethyl-2-(3-methylphenyl)-1,3,2-dioxaborinane
- CAS RN: 223799-24-4
- Product Code: starshine_CAS223799-24-4
- Purity/Analytical method: >99.0%
-
2-[3-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-Dioxaborinane
- CAS RN: 223799-25-5
- Product Code: starshine_CAS223799-25-5
- Purity/Analytical method: >99.0%
-
3-Methyl-2-vinylpyridine
- CAS RN: 22382-94-1
- Product Code: starshine_CAS22382-94-1
- Purity/Analytical method: >99.0%
-
-
5-Butyloxazolidine-2,4-dione
- CAS RN: 22384-53-8
- Product Code: starshine_CAS22384-53-8
- Purity/Analytical method: >99.0%
![CAS 223799-25-5 2-[3-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-Dioxaborinane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/223799-25-5.gif)
