CAS RN: 501698-03-9
GDP366
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.20260312 | 5mg / 10mg / 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260530 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250223 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250425 | 1g | Out of stock | Inquiry | ||
| Batchno.20260628 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250105 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260608 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260403 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251020 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS501698-03-9
- Purity/Analytical Methods: >99.0%
501698-03-9 / 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
Basic Information
CAS
501698-03-9
Multi CAS
No
Molecular Formula
C20H17N5OS
Molecular Weight
375.400000
Exact Mass
375.115381
InChI
InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)
InChIKey
DZSUJUOJJJCWGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
111.08
TPSA
92.93
LogP / Solubility
WLOGP
4.89
MLOGP
4.33
XLogP3
3.8
Consensus LogP
4.34
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble
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)
-1.54
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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