![CAS 1353978-12-7 4-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-2-Methyl-piperazine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353978-12-7.gif)
CAS RN: 1353978-12-7
4-(2,3-Dihydro-benzo[1,4]dioxine-2-carbonyl)-2-Methyl-piperazine-1-carboxylic acid tert-butyl 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.20250729 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353978-12-7
- Purity/Analytical Methods: >99.0%
1353978-12-7 / tert-butyl 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methylpiperazine-1-carboxylate
Basic Information
CAS
1353978-12-7
Multi CAS
No
Molecular Formula
C19H26N2O5
Molecular Weight
362.400000
Exact Mass
362.184172
SMILES
CC1CN(CCN1C(=O)OC(C)(C)C)C(=O)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C19H26N2O5/c1-13-11-20(9-10-21(13)18(23)26-19(2,3)4)17(22)16-12-24-14-7-5-6-8-15(14)25-16/h5-8,13,16H,9-12H2,1-4H3
InChIKey
SBYBWPWXYIGEND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
95.34
TPSA
68.31
LogP / Solubility
WLOGP
2.29
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.04
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
1-(6-CyclopropylaMino-pyriMidin-4-yl)-piperidine-4-carboxylic acid
- CAS RN: 1353978-16-1
- Product Code: starshine_CAS1353978-16-1
- Purity/Analytical method: >99.0%
-
4-(2-Chloro-pyridine-3-carbonyl)-2-Methyl-piperazine-1-carboxylic acid tert-butyl ester
- CAS RN: 1353978-39-8
- Product Code: SSC-043694
-
(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-MethylaMino-piperidin-1-yl)-Methanone hydrochloride
- CAS RN: 1353978-43-4
- Product Code: starshine_CAS1353978-43-4
- Purity/Analytical method: >99.0%
-
Benzo[1,3]dioxole-5-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride
- CAS RN: 1353978-56-9
- Product Code: starshine_CAS1353978-56-9
- Purity/Analytical method: >99.0%
-
3-BroMo-N-Methyl-N-piperidin-4-yl-benzenesulfonaMide hydrochloride
- CAS RN: 1353978-73-0
- Product Code: starshine_CAS1353978-73-0
- Purity/Analytical method: >99.0%
-
(4-Mercapto-cyclohexyl)-carbaMic acid tert-butyl ester
- CAS RN: 1353979-18-6
- Product Code: SSC-043695
.gif)
.gif)
![CAS 1353978-43-4 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(4-MethylaMino-piperidin-1-yl)-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02575056(1).gif)
![CAS 1353978-56-9 Benzo[1,3]dioxole-5-carboxylic acid Methyl-piperidin-4-yl-aMide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52581001(1).gif)
.gif)
.gif)