![CAS 1420820-73-0 tert-Butyl ((1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-4-yl)Methyl)carbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420820-73-0.gif)
CAS RN: 1420820-73-0
tert-Butyl ((1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-4-yl)Methyl)carbaMate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260519 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1420820-73-0
- Purity/Analytical Methods: >99.0%
1420820-73-0 / tert-butyl N-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]methyl]carbamate
Basic Information
CAS
1420820-73-0
Multi CAS
No
Molecular Formula
C18H25N3O4S
Molecular Weight
379.500000
Exact Mass
379.156577
SMILES
CC(C)(C)OC(=O)NCC1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32
InChI
InChI=1S/C18H25N3O4S/c1-18(2,3)25-17(22)19-12-13-8-10-21(11-9-13)16-14-6-4-5-7-15(14)26(23,24)20-16/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKey
ABYUAVFRPBIGFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.7
TPSA
88.07
LogP / Solubility
WLOGP
2.37
MLOGP
2.11
XLogP3
2.1
Consensus LogP
2.19
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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