CAS RN: 2226521-65-7
FM-381
Product Availability
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7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250421 | 10mg | In stock | Inquiry | |
| Batchno.20260327 | 25mg | In stock | Inquiry | |
| Batchno.20260509 | 2mg | In stock | Inquiry | |
| Batchno.20260219 | 2mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batchno.20250914 | 50mg | In stock | Inquiry | |
| Batchno.20260611 | 5mg | In stock | Inquiry |
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS2226521-65-7
- Purity/Analytical Methods: >99.0%
2226521-65-7 / (E)-2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-N,N-dimethylprop-2-enamide
Basic Information
CAS
2226521-65-7
Multi CAS
No
Molecular Formula
C24H24N6O2
Molecular Weight
428.500000
Exact Mass
428.196074
SMILES
CN(C)C(=O)/C(=C/C1=CC=C(O1)C2=NC3=CN=C4C(=C3N2C5CCCCC5)C=CN4)/C#N
InChI
InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+
InChIKey
GJMZWYLOARVASY-NTCAYCPXSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
121.49
TPSA
103.74
LogP / Solubility
WLOGP
4.67
MLOGP
4.14
XLogP3
3.2
Consensus LogP
4
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
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)
-2.02
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
3.5
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