CAS RN: 2163793-44-8
MCL-1/BCL-2-IN-2
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250705 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250918 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250926 | 1g | Out of stock | Inquiry | ||
| Batchno.20250617 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260326 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250705 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2163793-44-8
- Purity/Analytical Methods: >99.0%
2163793-44-8 / 2-(2-aminoethyl)-6-(4-bromophenyl)sulfanylbenzo[de]isoquinoline-1,3-dione
Basic Information
CAS
2163793-44-8
Multi CAS
No
Molecular Formula
C20H15BrN2O2S
Molecular Weight
427.300000
Exact Mass
426.003760
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCN)SC4=CC=C(C=C4)Br
InChI
InChI=1S/C20H15BrN2O2S/c21-12-4-6-13(7-5-12)26-17-9-8-16-18-14(17)2-1-3-15(18)19(24)23(11-10-22)20(16)25/h1-9H,10-11,22H2
InChIKey
LPOALFWTLPKKNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
106.63
TPSA
63.4
LogP / Solubility
WLOGP
4.31
MLOGP
3.82
XLogP3
4
Consensus LogP
4.04
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.49
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27
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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