CAS RN: 1668553-26-1
A-1210477
Product Availability
Choose a grade to view its available package options.
14 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 1mg / 5mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250611 | 100mg | Out of stock | Inquiry | |
| Batchno.20250806 | 10mg | Out of stock | Inquiry | |
| Batchno.20250812 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250328 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251007 | 2mg | Out of stock | Inquiry | |
| Batchno.20250214 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260528 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1668553-26-1
- Purity/Analytical Methods: >99.0%
1668553-26-1 / 7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
Basic Information
CAS
1668553-26-1
Multi CAS
No
Molecular Formula
C46H55N7O7S
Molecular Weight
850.000000
Exact Mass
849.388368
SMILES
CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C
InChI
InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
InChIKey
XMVAWGSQPHFXKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
30
Fraction Csp3
0.39
Rotatable bonds
16
H-bond acceptors
11
H-bond donors
1
Molar refractivity
238.03
TPSA
134.84
LogP / Solubility
WLOGP
6.05
MLOGP
5.4
XLogP3
3.6
Consensus LogP
5.02
Log S (ESOL)
-8.23
Class (ESOL)
Insoluble
Log S (Ali)
-10.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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