MCULE-1762915886
- 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 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1762915886.sdf |
| SMILES | MCULE-1762915886.smiles |
| Standard InChI | MCULE-1762915886.inchi |
| InChIKey | MCULE-1762915886.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579538 | 98 | As is | in stock |
| P-875738841 | 98 | As is | in stock |
| P-597017491 | 98 | As is | unavailable |
| P-1275193981 | 98 | As is | in stock |
| P-1275155077 | 95 | As is | in stock |
| P-903068947 | 98 | As is | 1000 g |
| P-1270399624 | 98 | As is | in stock |
| P-580242607 | 95 | As is | by synthesis |
| P-606894673 | N/A | As is | in stock |
| P-489182031 | 97 | As is | in stock |
| P-596952077 | 97 | As is | 1000 g |
| P-494350963 | 95 | As is | 82.795 g |
| P-864100780 | 95 | As is | in stock |
| P-580733525 | 98 | As is | 675 g |
| P-868560397 | 98 | As is | in stock |
| P-905332026 | 97 | As is | 175 g |
| P-861957434 | 97 | As is | 2.08268 kg |
| P-901378782 | 97 | As is | 23.7 g |
| P-494300971 | 98 | As is | in stock |
| P-454390742 | 95 | As is | 62 mg |
| P-454295089 | 95 | As is | 62 mg |
| P-579662124 | 95 | As is | by resynthesis (? - ? days) |
| P-905454279 | 95 | As is | by synthesis |
| P-580506130 | 95 | As is | by synthesis |
| P-1272601792 | N/A | As is | 500 g |
| P-852597175 | N/A | As is | by synthesis |
| P-904721584 | 90 | As is | in stock |
| P-854747573 | 95 | As is | in stock |
| P-889884485 | 95 | As is | by synthesis |
| P-896084655 | N/A | As is | 3.384 g |
| P-596745529 | 98 | As is | 504 g |
| P-502333686 | 90 | As is | in stock |
| P-906902404 | 97 | As is | in stock |
| P-611371736 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.032 |
| logP | 2.2483 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 43.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.2369 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |

