CAS RN: 2460375-94-2
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.20250320 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2460375-94-2
- Purity/Analytical Methods: >99.0%
2460375-94-2 / 4-[2-[5-fluoro-4-[2-(4-formylphenyl)ethynyl]-2,1,3-benzothiadiazol-7-yl]ethynyl]benzaldehyde
Basic Information
CAS
2460375-94-2
Multi CAS
No
Molecular Formula
C24H11FN2O2S
Molecular Weight
410.400000
Exact Mass
410.052527
SMILES
C1=CC(=CC=C1C=O)C#CC2=CC(=C(C3=NSN=C23)C#CC4=CC=C(C=C4)C=O)F
InChI
InChI=1S/C24H11FN2O2S/c25-22-13-20(11-9-16-1-5-18(14-28)6-2-16)23-24(27-30-26-23)21(22)12-10-17-3-7-19(15-29)8-4-17/h1-8,13-15H
InChIKey
HFIAZMRFUTWALV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
112.99
TPSA
59.92
LogP / Solubility
WLOGP
4.26
MLOGP
3.77
XLogP3
4.9
Consensus LogP
4.31
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
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)
-2.2
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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