CAS RN: 949912-58-7
ReModelin
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260122 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250514 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250523 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250601 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250102 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250818 | 5mg / 10mg / 25mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS949912-58-7
- Purity/Analytical Methods: >99.0%
949912-58-7 / 4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile
Basic Information
CAS
949912-58-7
Multi CAS
Yes
Molecular Formula
C15H14N4S
Molecular Weight
282.400000
Exact Mass
282.093918
InChI
InChI=1S/C15H14N4S/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13/h5-8,10H,1-4H2,(H,17,19)
InChIKey
XAEJIFARBQJLML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.79
TPSA
61.07
LogP / Solubility
WLOGP
4.02
MLOGP
3.55
XLogP3
3.3
Consensus LogP
3.62
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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