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MCULE-4434216650-0
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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 67 USD | 92 | 15 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4434216650-0.sdf |
| SMILES | MCULE-4434216650-0.smiles |
| Standard InChI | MCULE-4434216650-0.inchi |
| InChIKey | MCULE-4434216650-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-503215680 | 90 | As an isomer | by synthesis |
| P-502668591 | 90 | As an isomer | in stock |
| P-1275310697 | 90 | As an isomer | 50 mg |
| P-13367423 | 92 | As an isomer | 300 mg |
| P-13024033 | 90 | As an isomer | 50 mg |
| P-18990598 | 90 | As an isomer | in stock |
| P-907223118 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-2306637 | 90 | As an isomer | 101 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 476.523 |
| logP | 2.4376 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 96.61 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 136.3713 |
| Atoms | 63 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 28 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
