MCULE-3464420106
- 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 | 23 USD | 98 | 22 working days | Get Quote |
| 5 mg | 35 USD | 98 | 22 working days | Get Quote |
| 10 mg | 53 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3464420106.sdf |
| SMILES | MCULE-3464420106.smiles |
| Standard InChI | MCULE-3464420106.inchi |
| InChIKey | MCULE-3464420106.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867632436 | N/A | As is | in stock |
| P-875796973 | N/A | As is | in stock |
| P-869204321 | 95 | As is | by resynthesis (? - ? days) |
| P-505394583 | 95 | As is | by resynthesis (? - ? days) |
| P-903150352 | 98 | As is | 200 mg |
| P-893570728 | 90 | As is | 22.03 g |
| P-489243594 | 97 | As is | in stock |
| P-865920256 | 98 | As is | 200 mg |
| P-901334690 | 95 | As is | in stock |
| P-868544795 | 99 | As is | in stock |
| P-901552167 | 95 | As is | by synthesis |
| P-5693355 | 90 | As is | 100 mg |
| P-887182633 | 95 | As is | by synthesis |
| P-579480380 | 95 | As is | in stock |
| P-502746022 | 90 | As is | in stock |
| P-1275303645 | 90 | As is | 105 mg |
| P-1273108864 | 95 | As is | 100 mg |
| P-854711997 | 95 | As is | in stock |
| P-1267008079 | 95 | As is | by synthesis |
| P-871070653 | 95 | As is | in stock |
| P-888170654 | 98 | As is | by synthesis |
| P-856070134 | 95 | As is | in stock |
| P-424826427 | 90 | As is | in stock |
| P-873283398 | N/A | As is | in stock |
| P-892287686 | 95 | As is | unavailable |
| P-869111090 | 95 | As is | 151 mg |
| P-888629128 | 95 | As is | 151 mg |
| P-33889126 | 90 | As is | in stock |
| P-873236122 | 90 | As is | in stock |
| P-907268233 | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.350 |
| logP | 3.3126 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 90.41 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 81.585 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

