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MCULE-1891722858
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 | 98 | 9 working days | Get Quote |
| 5 mg | 5 USD | 98 | 9 working days | Get Quote |
| 10 mg | 5 USD | 98 | 9 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1891722858.sdf |
| SMILES | MCULE-1891722858.smiles |
| Standard InChI | MCULE-1891722858.inchi |
| InChIKey | MCULE-1891722858.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-866718471 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-500413763 | AvaChem Scientific | All products | 95 | As is | by synthesis |
| P-580700782 | BLD pharm | In-stock building blocks | 98 | As is | 117 g |
| P-505572716 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-851250834 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868595315 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-579476745 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-889117930 | FluoroChem | In Stock BB | N/A | As is | 45.2 g |
| P-852458750 | Matrix Scientific | All | N/A | As is | in stock |
| P-852523713 | Matrix Scientific | All | N/A | As is | in stock |
| P-863731665 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-579710443 | Selleckchem | Product Catalog | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 418.565 |
| logP | 4.5856 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 72.83 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 118.4708 |
| Atoms | 68 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 38 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| 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 |
