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MCULE-6801100794
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 37 USD | 95 | 17 working days | Get Quote |
| 5 mg | 37 USD | 95 | 17 working days | Get Quote |
| 10 mg | 37 USD | 95 | 17 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-1761074543
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6801100794.sdf |
| SMILES | MCULE-6801100794.smiles |
| Standard InChI | MCULE-6801100794.inchi |
| InChIKey | MCULE-6801100794.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-615695699 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-895199934 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-903027109 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component | 1.25 g |
| P-500414757 | AvaChem Scientific | On demand | 95 | Main component | by synthesis |
| P-590743475 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-861341080 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-895183013 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896072404 | MedKoo | In stock compounds | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 443.441 |
| logP | 3.1834 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 93.48 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 115.8821 |
| Atoms | 55 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 23 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
