MCULE-5082471244
- 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 | 60 USD | 95 | 12 working days | Get Quote |
| 5 mg | 137 USD | 95 | 12 working days | Get Quote |
| 10 mg | 199 USD | 95 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5082471244.sdf |
| SMILES | MCULE-5082471244.smiles |
| Standard InChI | MCULE-5082471244.inchi |
| InChIKey | MCULE-5082471244.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860607009 | N/A | As is | by synthesis |
| P-901185034 | 98 | As is | by synthesis |
| P-615710830 | 95 | As is | by resynthesis (? - ? days) |
| P-1272347229 | 95 | As is | in stock |
| P-893584801 | 90 | As is | 425 mg |
| P-1270378155 | 98 | As is | in stock |
| P-580247522 | 95 | As is | by synthesis |
| P-851813483 | N/A | As is | by synthesis |
| P-489226711 | 97 | As is | in stock |
| P-1271879785 | 98 | As is | 300 mg |
| P-1273292979 | 95 | As is | by resynthesis (? - ? days) |
| P-1263785029 | 95 | As is | in stock |
| P-500414806 | 98 | As is | by synthesis |
| P-591101805 | 98 | As is | by synthesis |
| P-871221862 | N/A | As is | by resynthesis (? - ? days) |
| P-1266980977 | 95 | As is | by synthesis |
| P-579477264 | 95 | As is | in stock |
| P-852468641 | 95 | As is | by synthesis |
| P-895176459 | 95 | As is | by synthesis |
| P-892302572 | 95 | As is | in stock |
| P-1274332879 | 95 | As is | unavailable |
| P-869124921 | 95 | As is | 158 mg |
| P-888638604 | 95 | As is | 158 mg |
| P-596708217 | 90 | As is | 1 mg |
| P-611516597 | 90 | As is | in stock |
| P-855060255 | 90 | As is | in stock |
| P-1271468954 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.225 |
| logP | 2.0716 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 100.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.551 |
| Atoms | 30 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

