![CAS 1420954-82-0 tert-Butyl (1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-3-yl)(Methyl)carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420954-82-0.gif)
CAS RN: 1420954-82-0
tert-Butyl (1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-3-yl)(Methyl)carbaMate
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.20251108 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1420954-82-0
- Purity/Analytical Methods: >99.0%
1420954-82-0 / tert-butyl N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]-N-methylcarbamate
Basic Information
CAS
1420954-82-0
Multi CAS
No
Molecular Formula
C18H25N3O4S
Molecular Weight
379.500000
Exact Mass
379.156577
SMILES
CC(C)(C)OC(=O)N(C)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32
InChI
InChI=1S/C18H25N3O4S/c1-18(2,3)25-17(22)20(4)13-8-7-11-21(12-13)16-14-9-5-6-10-15(14)26(23,24)19-16/h5-6,9-10,13H,7-8,11-12H2,1-4H3
InChIKey
CNGXBBNBOQENPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
98.76
TPSA
79.28
LogP / Solubility
WLOGP
2.47
MLOGP
2.19
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1420955-72-1 tert-butyl 8-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 8-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate
- CAS RN: 1420955-72-1
- Product Code: SSC-052796
-
tert-butyl 4-Methyl-4-(MethylaMino)piperidine-1-carboxylate
- CAS RN: 1420956-33-7
- Product Code: starshine_CAS1420956-33-7
- Purity/Analytical method: >99.0%
-
-
2-(1-Pyridin-4-ylMethyl-piperidin-4-yl)-1H-benzoiMidazole
- CAS RN: 1420959-03-0
- Product Code: starshine_CAS1420959-03-0
- Purity/Analytical method: >99.0%
-
(5-Fluoro-pyridin-2-yl)-diMethyl-aMine
- CAS RN: 1420961-53-0
- Product Code: starshine_CAS1420961-53-0
- Purity/Analytical method: >99.0%
-
1-(4-Fluoro-benzyl)-2-piperidin-4-yl-1H-benzoiMidazole hydrochloride
- CAS RN: 1420975-03-6
- Product Code: starshine_CAS1420975-03-6
- Purity/Analytical method: >99.0%
![CAS 1420955-72-1 tert-butyl 8-(hydroxymethyl)-2-azaspiro[4.5]decane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420955-72-1.gif)
![CAS 1420958-53-7 6azaspiro[3.4]octan2ylMethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420958-53-7.gif)
