CAS RN: 2421117-98-6
BC-DXI-843
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260527 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260212 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260430 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260328 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251010 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250725 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260314 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2421117-98-6
- Purity/Analytical Methods: >99.0%
2421117-98-6 / (2S)-3-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
Basic Information
CAS
2421117-98-6
Multi CAS
No
Molecular Formula
C28H26N4O4S2
Molecular Weight
546.700000
Exact Mass
546.139548
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)OC
InChI
InChI=1S/C28H26N4O4S2/c1-18-7-13-22(14-8-18)38(34,35)32-25(15-20-16-29-24-6-4-3-5-23(20)24)27(33)31-28-30-26(17-37-28)19-9-11-21(36-2)12-10-19/h3-14,16-17,25,29,32H,15H2,1-2H3,(H,30,31,33)/t25-/m0/s1
InChIKey
VLPGAOXBMXGNGM-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
26
Fraction Csp3
0.14
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
150.02
TPSA
113.18
LogP / Solubility
WLOGP
5.14
MLOGP
4.56
XLogP3
5.3
Consensus LogP
5
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5
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