CAS RN: 215543-92-3
SU5402
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250522 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250724 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250628 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260619 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260601 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS215543-92-3
- Purity/Analytical Methods: >99.0%
215543-92-3 / 3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
Basic Information
CAS
215543-92-3
Multi CAS
No
Molecular Formula
C17H16N2O3
Molecular Weight
296.320000
Exact Mass
296.116092
SMILES
CC1=CNC(=C1CCC(=O)O)/C=C\2/C3=CC=CC=C3NC2=O
InChI
InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
InChIKey
JNDVEAXZWJIOKB-JYRVWZFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
84.43
TPSA
82.19
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
1.8
Consensus LogP
2.38
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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