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MCULE-2612679152
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 | 35 USD | 95 | 12 working days | Get Quote |
| 5 mg | 59 USD | 95 | 12 working days | Get Quote |
| 10 mg | 92 USD | 95 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2612679152.sdf |
| SMILES | MCULE-2612679152.smiles |
| Standard InChI | MCULE-2612679152.inchi |
| InChIKey | MCULE-2612679152.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875858717 | N/A | As is | in stock |
| P-890228602 | 97 | As is | by synthesis |
| P-854713230 | 95 | As is | in stock |
| P-867679932 | N/A | As an isomer | in stock |
| P-874626589 | N/A | As an isomer | by resynthesis (? - ? days) |
| P-893453463 | 90 | As an isomer | 3.516 g |
| P-868817110 | N/A | As an isomer | by synthesis |
| P-895106347 | N/A | As an isomer | 200 mg |
| P-1273261580 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-889795318 | 95 | As an isomer | by synthesis |
| P-873244277 | 97 | As an isomer | 5 mg |
| P-892287661 | 95 | As an isomer | unavailable |
| P-869110951 | 95 | As an isomer | 1.549 g |
| P-888629043 | 95 | As an isomer | 1.546 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 336.398 |
| logP | 5.7515 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 37.3 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 100.5198 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 21 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
