![CAS 1420900-85-1 tert-Butyl (1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-4-yl)(Methyl)carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420900-85-1.gif)
CAS RN: 1420900-85-1
tert-Butyl (1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-4-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.20250123 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1420900-85-1
- Purity/Analytical Methods: >99.0%
1420900-85-1 / tert-butyl N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-N-methylcarbamate
Basic Information
CAS
1420900-85-1
Multi CAS
No
Molecular Formula
C18H25N3O4S
Molecular Weight
379.500000
Exact Mass
379.156577
SMILES
CC(C)(C)OC(=O)N(C)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32
InChI
InChI=1S/C18H25N3O4S/c1-18(2,3)25-17(22)20(4)13-9-11-21(12-10-13)16-14-7-5-6-8-15(14)26(23,24)19-16/h5-8,13H,9-12H2,1-4H3
InChIKey
FZPXAMITZAENIO-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
2.5
Customers Also Viewed
-
N-cyclopropylpyrimidine-2-sulfonamide
- CAS RN: 1420901-22-9
- Product Code: starshine_CAS1420901-22-9
- Purity/Analytical method: >99.0%
-
-
-
tert-Butyl (1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-3-yl)(Methyl)carbaMate
- CAS RN: 1420954-82-0
- Product Code: starshine_CAS1420954-82-0
- Purity/Analytical method: >99.0%
-
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%
![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 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)
