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MCULE-1680809407
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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 28 USD | 98 | 16 working days | Get Quote |
| 10 mg | 45 USD | 98 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-3287612708
- Component type: Main
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MCULE-7825125488
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1680809407.sdf |
| SMILES | MCULE-1680809407.smiles |
| Standard InChI | MCULE-1680809407.inchi |
| InChIKey | MCULE-1680809407.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869183581 | 95 | As is | in stock |
| P-505396603 | 98 | As is | in stock |
| P-896023626 | 98 | As is | in stock |
| P-873251678 | 97 | As is | 10 mg |
| P-608279732 | 98 | As is | in stock |
| P-855344563 | 90 | As is | in stock |
| P-868538046 | 95 | As is | in stock |
| P-505572738 | 97 | As a main component | in stock |
| P-870663165 | N/A | As a main component | in stock |
| P-578135523 | 90 | As a main component | 300 mg |
| P-888666429 | 90 | As a main component | in stock |
| P-33162714 | 90 | As a main component | 966 mg |
| P-617769082 | 90 | As a main component | 111 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 608.721 |
| logP | 6.7352 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 72.86 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 181.605 |
| Atoms | 85 |
| Rings | 7 |
| Heavy atoms | 45 |
| Hydrogen atoms | 40 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
