CAS RN: 2361304-26-7
STAT3-IN-3
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.20260312 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2361304-26-7
- Purity/Analytical Methods: >99.0%
2361304-26-7 / 3-[4-(4-bromo-1,1-dioxo-1-benzothiophene-2-carbonyl)piperazine-1-carbonyl]-7-(diethylamino)chromen-2-one
Basic Information
CAS
2361304-26-7
Multi CAS
No
Molecular Formula
C27H26BrN3O6S
Molecular Weight
600.500000
Exact Mass
599.072570
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CCN(CC3)C(=O)C4=CC5=C(S4(=O)=O)C=CC=C5Br
InChI
InChI=1S/C27H26BrN3O6S/c1-3-29(4-2)18-9-8-17-14-20(27(34)37-22(17)15-18)25(32)30-10-12-31(13-11-30)26(33)24-16-19-21(28)6-5-7-23(19)38(24,35)36/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKey
LEVMMUZFAXTJOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
147.83
TPSA
108.21
LogP / Solubility
WLOGP
3.51
MLOGP
3.14
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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