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MCULE-5246507817
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 | 5 USD | 99 | 9 working days | Get Quote |
| 5 mg | 5 USD | 99 | 9 working days | Get Quote |
| 10 mg | 5 USD | 99 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-5246507817.sdf |
| SMILES | MCULE-5246507817.smiles |
| Standard InChI | MCULE-5246507817.inchi |
| InChIKey | MCULE-5246507817.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489165021 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-489196981 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580696504 | BLD pharm | In-stock building blocks | 99 | As is | 631 g |
| P-878236408 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868639590 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-861980010 | FluoroChem | General BB | N/A | As is | in stock |
| P-493677434 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
| P-889736829 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852443381 | Matrix Scientific | All | N/A | As is | in stock |
| P-888853568 | PharmaBlock | In stock | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 117.146 |
| logP | 0.8987 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 30.6282 |
| Atoms | 19 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
