CAS RN: 1222173-37-6
“BI-4394(BI4394)”
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250422 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260128 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251001 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260507 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250515 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250503 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20251117 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1222173-37-6
- Purity/Analytical Methods: >99.0%
1222173-37-6 / 4-[[[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazole-3-carbonyl]amino]methyl]benzoic acid
Basic Information
CAS
1222173-37-6
Multi CAS
No
Molecular Formula
C24H22N4O5
Molecular Weight
446.500000
Exact Mass
446.159020
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=NN3C)C(=O)NCC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)
InChIKey
MMJPVSDTLGFIQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
121.03
TPSA
126.31
LogP / Solubility
WLOGP
3.37
MLOGP
3
XLogP3
3.2
Consensus LogP
3.19
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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