CAS RN: 442644-28-2
JW67
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250310 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251013 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250419 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251213 | 1mg / 5mg / 25mg | Out of stock | 15 business days | Inquiry | |
| Batchno.20250907 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260328 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251004 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260522 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS442644-28-2
- Purity/Analytical Methods: >99.0%
442644-28-2 / JW67
Basic Information
CAS
442644-28-2
Multi CAS
Yes
Molecular Formula
C21H18N2O6
Molecular Weight
394.400000
Exact Mass
394.116486
InChI
InChI=1S/C21H18N2O6/c24-17-20(13-5-1-3-7-15(13)22-17)26-9-19(10-27-20)11-28-21(29-12-19)14-6-2-4-8-16(14)23-18(21)25/h1-8H,9-12H2,(H,22,24)(H,23,25)
InChIKey
BTXRSHKJNDFHGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.33
H-bond acceptors
6
H-bond donors
2
Molar refractivity
99.74
TPSA
95.12
LogP / Solubility
WLOGP
1.68
MLOGP
1.5
XLogP3
0.5
Consensus LogP
1.23
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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