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MCULE-9495295028
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9495295028.sdf |
| SMILES | MCULE-9495295028.smiles |
| Standard InChI | MCULE-9495295028.inchi |
| InChIKey | MCULE-9495295028.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903022254 | 97 | As is | 300 g |
| P-610978980 | 90 | As is | 2.79015 kg |
| P-489161981 | 97 | As is | in stock |
| P-580715366 | 97 | As is | 56.25 g |
| P-851287044 | 95 | As is | by synthesis |
| P-868605620 | 95 | As is | in stock |
| P-905347298 | 95 | As is | 35.25 g |
| P-862034412 | 95 | As is | 1.07165 kg |
| P-855397121 | 95 | As is | in stock |
| P-580501026 | N/A | As an isomer | by synthesis |
| P-596747699 | 97 | As an isomer | 363 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 265.329 |
| logP | 1.9907 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 81.29 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.642 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 19 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
