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MCULE-4137935104-1
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 | 66 USD | 90 | 10 working days | Get Quote |
| 10 mg | 90 USD | 90 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4137935104-1.sdf |
| SMILES | MCULE-4137935104-1.smiles |
| Standard InChI | MCULE-4137935104-1.inchi |
| InChIKey | MCULE-4137935104-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270672029 | 90 | As is | by synthesis |
| P-1269274264 | 90 | As is | by synthesis |
| P-851526699 | N/A | As is | by synthesis |
| P-596429259 | 90 | As is | unavailable |
| P-611211976 | 90 | As is | by synthesis |
| P-6618375 | 90 | As is | 50 mg |
| P-13269282 | 92 | As is | 300 mg |
| P-18682437 | 90 | As is | 2.688 g |
| P-873068609 | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 342.414 |
| logP | 3.3434 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 92.73 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 96.8914 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
