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MCULE-3804721044
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 | 81 USD | 95 | 12 working days | Get Quote |
| 5 mg | 127 USD | 98 | 22 working days | Get Quote |
| 10 mg | 199 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3804721044.sdf |
| SMILES | MCULE-3804721044.smiles |
| Standard InChI | MCULE-3804721044.inchi |
| InChIKey | MCULE-3804721044.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892880359 | N/A | As is | in stock |
| P-890182332 | N/A | As is | in stock |
| P-893606864 | 90 | As is | 377 mg |
| P-904027247 | N/A | As is | by synthesis |
| P-895106054 | 96 | As is | 150 mg |
| P-1273266265 | 95 | As is | by resynthesis (? - ? days) |
| P-1275488307 | 95 | As is | in stock |
| P-905518250 | 96 | As is | by synthesis |
| P-901563156 | 95 | As is | by synthesis |
| P-1273110271 | 97 | As is | 100 mg |
| P-905144110 | 95 | As is | in stock |
| P-904369494 | 95 | As is | in stock |
| P-888174176 | 98 | As is | by synthesis |
| P-491319300 | 95 | As is | by synthesis |
| P-892292203 | 95 | As is | unavailable |
| P-869134914 | 95 | As is | 2.917 g |
| P-888644120 | 95 | As is | 2.917 g |
| P-855058261 | 90 | As is | in stock |
| P-1271627522 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 605.581 |
| logP | 6.0648 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 90.21 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 155.453 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 44 |
| Hydrogen atoms | 27 |
| Heteroatoms | 12 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
