CAS RN: 222716-34-9
SZL P1-41
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250506 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250325 | 100mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20260126 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260115 | 1g | Out of stock | Inquiry | ||
| Batchno.20250921 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260122 | 250mg | In stock | Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20251123 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260410 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250521 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS222716-34-9
- Purity/Analytical Methods: >99.0%
222716-34-9 / 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one
Basic Information
CAS
222716-34-9
Multi CAS
No
Molecular Formula
C24H24N2O3S
Molecular Weight
420.500000
Exact Mass
420.150764
SMILES
CCC1=CC2=C(C(=C1O)CN3CCCCC3)OC=C(C2=O)C4=NC5=CC=CC=C5S4
InChI
InChI=1S/C24H24N2O3S/c1-2-15-12-16-22(28)18(24-25-19-8-4-5-9-20(19)30-24)14-29-23(16)17(21(15)27)13-26-10-6-3-7-11-26/h4-5,8-9,12,14,27H,2-3,6-7,10-11,13H2,1H3
InChIKey
JKIXLEKBXHMXTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
19
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
121.27
TPSA
66.57
LogP / Solubility
WLOGP
5.32
MLOGP
4.71
XLogP3
4.8
Consensus LogP
4.94
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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