MCULE-6284372928
- 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 | 7 working days | Get Quote |
| 5 mg | 37 USD | 95 | 7 working days | Get Quote |
| 10 mg | 37 USD | 95 | 7 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6284372928.sdf |
| SMILES | MCULE-6284372928.smiles |
| Standard InChI | MCULE-6284372928.inchi |
| InChIKey | MCULE-6284372928.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875777648 | N/A | As is | in stock |
| P-869373981 | 95 | As is | by resynthesis (? - ? days) |
| P-893556849 | 90 | As is | 8.41 g |
| P-1270365144 | N/A | As is | in stock |
| P-606891688 | N/A | As is | in stock |
| P-597003391 | 97 | As is | 5 g |
| P-895952815 | 95 | As is | by resynthesis (? - ? days) |
| P-864167803 | 99 | As is | in stock |
| P-590595340 | 95 | As is | 1.25 g |
| P-851316152 | 95 | As is | by synthesis |
| P-887073523 | 98 | As is | in stock |
| P-862145743 | 97 | As is | 1.607 g |
| P-579457813 | 97 | As is | 79 mg |
| P-873389322 | N/A | As is | by synthesis |
| P-863720807 | 95 | As is | in stock |
| P-889863274 | 95 | As is | by synthesis |
| P-596753667 | 95 | As is | 2.8 g |
| P-1274342534 | 95 | As is | 1.961 g |
| P-1274333487 | 95 | As is | 300 mg |
| P-1274354221 | 95 | As is | 300 mg |
| P-906797893 | 98 | As is | by synthesis |
| P-611542306 | 90 | As is | in stock |
| P-1271709466 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 476.406 |
| logP | 4.3888 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 74.43 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 124.3569 |
| Atoms | 60 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 30 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

