MCULE-2383822322-0
- 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 | 191 USD | 95 | 12 working days | Get Quote |
| 5 mg | 482 USD | 95 | 12 working days | Get Quote |
| 10 mg | 689 USD | 95 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2383822322-0.sdf |
| SMILES | MCULE-2383822322-0.smiles |
| Standard InChI | MCULE-2383822322-0.inchi |
| InChIKey | MCULE-2383822322-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270104833 | 98 | As is | in stock |
| P-867388459 | 95 | As is | by synthesis |
| P-1264056442 | 98 | As is | in stock |
| P-893590365 | 90 | As is | 65 mg |
| P-891650944 | N/A | As is | by synthesis |
| P-851596879 | N/A | As is | by synthesis |
| P-1272025177 | 95 | As is | 5 mg |
| P-1273293771 | 95 | As is | by resynthesis (? - ? days) |
| P-1274802988 | 95 | As is | by resynthesis (? - ? days) |
| P-869405703 | 95 | As is | by synthesis |
| P-855917455 | 95 | As is | 5 mg |
| P-878210519 | 95 | As is | 5 mg |
| P-904257397 | 95 | As is | in stock |
| P-892306877 | 95 | As is | in stock |
| P-892251361 | 95 | As is | unavailable |
| P-1274336070 | 95 | As is | unavailable |
| P-892336630 | 95 | As is | unavailable |
| P-869169168 | 95 | As is | 92 mg |
| P-888662281 | 95 | As is | 91 mg |
| P-868496447 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 358.384 |
| logP | 2.6245 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 88.38 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 97.3086 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

