CAS RN: 2803461-98-3
INDEX NAME NOT YET ASSIGNED
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251002 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2803461-98-3
- Purity/Analytical Methods: >99.0%
2803461-98-3 / 5-[7-[4-(3,5-diformylphenyl)-2,1,3-benzothiadiazol-7-yl]-2,1,3-benzothiadiazol-4-yl]benzene-1,3-dicarbaldehyde
Basic Information
CAS
2803461-98-3
Multi CAS
No
Molecular Formula
C28H14N4O4S2
Molecular Weight
534.600000
Exact Mass
534.045647
InChI
InChI=1S/C28H14N4O4S2/c33-11-15-5-16(12-34)8-19(7-15)21-1-3-23(27-25(21)29-37-31-27)24-4-2-22(26-28(24)32-38-30-26)20-9-17(13-35)6-18(10-20)14-36/h1-14H
InChIKey
PIIUGAZGGVTKIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
30
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
146.25
TPSA
119.84
LogP / Solubility
WLOGP
5.95
MLOGP
5.27
XLogP3
4.4
Consensus LogP
5.21
Log S (ESOL)
-7.02
Class (ESOL)
Insoluble
Log S (Ali)
-8.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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