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MCULE-4417662433-0
Structure
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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 | 26 USD | 97 | 24 working days | Get Quote |
| 5 mg | 26 USD | 97 | 24 working days | Get Quote |
| 10 mg | 26 USD | 97 | 24 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4417662433-0.sdf |
| SMILES | MCULE-4417662433-0.smiles |
| Standard InChI | MCULE-4417662433-0.inchi |
| InChIKey | MCULE-4417662433-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893503952 | 90 | As is | 579.595 g |
| P-489115269 | 97 | As is | in stock |
| P-893281417 | 97 | As is | by synthesis |
| P-851265636 | 95 | As is | by synthesis |
| P-868591396 | 97 | As is | in stock |
| P-1264356961 | 97 | As is | 123 g |
| P-862084851 | 97 | As is | 283.995 g |
| P-579618322 | 97 | As is | in stock |
| P-854740330 | 95 | As is | in stock |
| P-906754049 | 98 | As is | by synthesis |
| P-906791316 | 97 | As is | by synthesis |
| P-906757305 | 98 | As is | by synthesis |
| P-615649825 | 95 | As is | unavailable |
| P-580470529 | N/A | As an isomer | by synthesis |
| P-904085382 | 97 | As an isomer | 204.2 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 187.193 |
| logP | 0.8274 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 64.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 44.2547 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
