CAS RN: 554403-49-5
WAY 181187
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.20250731 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS554403-49-5
- Purity/Analytical Methods: >99.0%
554403-49-5 / 2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
Basic Information
CAS
554403-49-5
Multi CAS
No
Molecular Formula
C15H13CLN4O2S2
Molecular Weight
380.900000
Exact Mass
380.016846
InChI
InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2
InChIKey
RYBOXBBYCVOYNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
95.36
TPSA
82.39
LogP / Solubility
WLOGP
2.74
MLOGP
2.43
XLogP3
3.8
Consensus LogP
2.99
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 554405-18-4 6-AMINO-1-BENZYL-5-[2-(3,4-DIMETHOXY-PHENYL)-ETHYLAMINO]-1H-PYRIMIDINE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1248856.gif)
