![CAS 1120333-38-1 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1120333-38-1.gif)
CAS RN: 1120333-38-1
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
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.20250405 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1120333-38-1
- Purity/Analytical Methods: >99.0%
1120333-38-1 / 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
Necrox-2 | 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine | 1H-indol-5-yl)methyl)thiomorpholine 1,1-dioxide
Basic Information
CAS
1120333-38-1
Multi CAS
Yes
Molecular Formula
C25H32N4O4S2
Molecular Weight
516.700000
Exact Mass
516.186498
SMILES
CS(=O)(=O)N1CCC(CC1)NC2=CC(=CC3=C2NC(=C3)C4=CC=CC=C4)CN5CCS(=O)(=O)CC5
InChI
InChI=1S/C25H32N4O4S2/c1-34(30,31)29-9-7-22(8-10-29)26-24-16-19(18-28-11-13-35(32,33)14-12-28)15-21-17-23(27-25(21)24)20-5-3-2-4-6-20/h2-6,15-17,22,26-27H,7-14,18H2,1H3
InChIKey
OXROWZRDUZOTSG-UHFFFAOYSA-N
Synonyms
Necrox-2
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
1H-indol-5-yl)methyl)thiomorpholine 1,1-dioxide
4-((7-((1-(Methylsulfonyl)piperidin-4-yl)amino)-2-phenyl- 1H-indol-5-yl)methyl)thiomorpholine 1,1-dioxide
4-((7-((1-(Methylsulfonyl)piperidin-4-yl)amino)-2-phenyl-1H-indol-5-yl)methyl)thiomorpholine 1,1-dioxide
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
140.73
TPSA
102.58
LogP / Solubility
WLOGP
2.9
MLOGP
2.59
XLogP3
2.5
Consensus LogP
2.66
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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