MCULE-1137791149
- 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 | 13 USD | 95 | 20 working days | Get Quote |
| 5 mg | 13 USD | 95 | 20 working days | Get Quote |
| 10 mg | 13 USD | 95 | 20 working days | Get Quote |
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MCULE-2610205036
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1137791149.sdf |
| SMILES | MCULE-1137791149.smiles |
| Standard InChI | MCULE-1137791149.inchi |
| InChIKey | MCULE-1137791149.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867638534 | 95 | As is | in stock |
| P-875803912 | 95 | As is | in stock |
| P-869275350 | 95 | As is | by resynthesis (? - ? days) |
| P-903160287 | 95 | As is | 55 g |
| P-893513418 | 90 | As is | 143.551 g |
| P-1270395583 | 98 | As is | in stock |
| P-851924850 | N/A | As is | in stock |
| P-865921689 | 95 | As is | 55 g |
| P-1273442601 | 95 | As is | by resynthesis (? - ? days) |
| P-889578999 | 95 | As is | in stock |
| P-901443957 | 95 | As is | by synthesis |
| P-889030103 | 95 | As is | in stock |
| P-580301101 | 95 | As is | by resynthesis (? - ? days) |
| P-861947917 | 95 | As is | 63.801 g |
| P-905331277 | 95 | As is | 2.5 g |
| P-579516321 | 90 | As is | 1000 mg |
| P-890210122 | 90 | As is | in stock |
| P-502568657 | 95 | As is | by synthesis |
| P-524174127 | 95 | As is | unavailable |
| P-596570023 | 95 | As is | 250 mg |
| P-870640208 | 95 | As is | 100 mg |
| P-31246314 | 90 | As is | 500 mg |
| P-863717781 | 95 | As is | in stock |
| P-888888620 | N/A | As is | in stock |
| P-500384844 | 98 | As is | by synthesis |
| P-859985274 | 95 | As is | by synthesis |
| P-896083548 | N/A | As is | 10.74 g |
| P-904092119 | 95 | As is | 41.4 g |
| P-906866665 | 98 | As is | by synthesis |
| P-893979308 | 97 | As is | in stock |
| P-855243056 | 90 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.195 |
| logP | 1.0122 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.3896 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

