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MCULE-3459247408-0
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 | 39 USD | 98 | 20 working days | Get Quote |
| 5 mg | 39 USD | 98 | 20 working days | Get Quote |
| 10 mg | 39 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3459247408-0.sdf |
| SMILES | MCULE-3459247408-0.smiles |
| Standard InChI | MCULE-3459247408-0.inchi |
| InChIKey | MCULE-3459247408-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872934939 | 97 | As is | in stock |
| P-869336534 | 97 | As is | by resynthesis (? - ? days) |
| P-1270341145 | 97 | As is | in stock |
| P-851723322 | N/A | As is | by synthesis |
| P-873289848 | 98 | As is | 10 g |
| P-889772564 | 95 | As is | in stock |
| P-893237745 | 95 | As is | in stock |
| P-580271269 | 95 | As is | by resynthesis (? - ? days) |
| P-1273142710 | 98 | As is | 11 g |
| P-454396492 | 90 | As is | 5 g |
| P-31177490 | 90 | As is | unavailable |
| P-500401518 | 97 | As is | by synthesis |
| P-22520720 | 90 | As is | 990 mg |
| P-906762049 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 219.265 |
| logP | 3.5725 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 86.08 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.721 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
