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MCULE-9454154219
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 | 6 USD | 98 | 9 working days | Get Quote |
| 5 mg | 6 USD | 98 | 9 working days | Get Quote |
| 10 mg | 6 USD | 98 | 9 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9454154219.sdf |
| SMILES | MCULE-9454154219.smiles |
| Standard InChI | MCULE-9454154219.inchi |
| InChIKey | MCULE-9454154219.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-585280260 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-584629851 | BLD pharm | In-stock building blocks | 98 | As is | 30.25 g |
| P-868563285 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862145439 | FluoroChem | General BB | N/A | As is | in stock |
| P-615655134 | LabNetwork | In stock | 95 | As is | in stock |
| P-852606535 | Matrix Scientific | All | N/A | As is | in stock |
| P-854742681 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-580496264 | Manchester Organics | Compounds on demand | N/A | As an isomer | by synthesis |
| P-580494134 | Manchester Organics | Compounds on demand | N/A | As an isomer | by synthesis |
| P-596790955 | Synthonix | In-stock Building Blocks | 98 | As an isomer | 104.449 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.135 |
| logP | 2.2823 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.5678 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
