CAS RN: 2460375-95-3
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2460375-95-3
- Purity/Analytical Methods: >99.0%
2460375-95-3 / 4-[2-[5,6-difluoro-4-[2-(4-formylphenyl)ethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]benzaldehyde
Basic Information
CAS
2460375-95-3
Multi CAS
No
Molecular Formula
C24H10F2N2O2S
Molecular Weight
428.400000
Exact Mass
428.043105
SMILES
C1=CC(=CC=C1C=O)C#CC2=C(C(=C(C3=NSN=C23)C#CC4=CC=C(C=C4)C=O)F)F
InChI
InChI=1S/C24H10F2N2O2S/c25-21-19(11-9-15-1-5-17(13-29)6-2-15)23-24(28-31-27-23)20(22(21)26)12-10-16-3-7-18(14-30)8-4-16/h1-8,13-14H
InChIKey
OWPKVNUYOJHXDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
112.95
TPSA
59.92
LogP / Solubility
WLOGP
4.39
MLOGP
3.89
XLogP3
5
Consensus LogP
4.43
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.33
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21
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
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