CAS RN: 2249801-12-3
MD2-TLR4-IN-1
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250820 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251212 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251222 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250122 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260603 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250408 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2249801-12-3
- Purity/Analytical Methods: >99.0%
2249801-12-3 / 2,6-dichloro-N-[3-(1H-indol-5-yl)-1H-indazol-5-yl]benzamide
Basic Information
CAS
2249801-12-3
Multi CAS
No
Molecular Formula
C22H14Cl2N4O
Molecular Weight
421.300000
Exact Mass
420.054467
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC5=C(C=C4)NC=C5)Cl
InChI
InChI=1S/C22H14Cl2N4O/c23-16-2-1-3-17(24)20(16)22(29)26-14-5-7-19-15(11-14)21(28-27-19)13-4-6-18-12(10-13)8-9-25-18/h1-11,25H,(H,26,29)(H,27,28)
InChIKey
AZPDJGLJPDRCDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
117.8
TPSA
73.57
LogP / Solubility
WLOGP
6.27
MLOGP
5.54
XLogP3
5.4
Consensus LogP
5.74
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-7.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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