CAS RN: 1619994-68-1
GSK 2801
Product Availability
Choose a grade to view its available package options.
12 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 100mg | Out of stock | Inquiry | |
| Batchno.20251013 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 1g | Out of stock | Inquiry | |
| Batchno.20250524 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251009 | 250mg | Out of stock | Inquiry | |
| Batchno.20250529 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260223 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1619994-68-1
- Purity/Analytical Methods: >99.0%
1619994-68-1 / 1-[1-(2-methylsulfonylphenyl)-7-propoxyindolizin-3-yl]ethanone
Basic Information
CAS
1619994-68-1
Multi CAS
No
Molecular Formula
C20H21NO4S
Molecular Weight
371.500000
Exact Mass
371.119129
SMILES
CCCOC1=CC2=C(C=C(N2C=C1)C(=O)C)C3=CC=CC=C3S(=O)(=O)C
InChI
InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
InChIKey
KHWCPNJRJCNVRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
101.73
TPSA
64.85
LogP / Solubility
WLOGP
4
MLOGP
3.54
XLogP3
4.2
Consensus LogP
3.91
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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