MCULE-1011403248
- 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.
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|
|---|---|---|---|---|
| 1 mg | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1011403248.sdf |
| SMILES | MCULE-1011403248.smiles |
| Standard InChI | MCULE-1011403248.inchi |
| InChIKey | MCULE-1011403248.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587328 | 98 | As is | in stock |
| P-875746214 | 98 | As is | in stock |
| P-1275182261 | 99 | As is | in stock |
| P-1275150921 | 95 | As is | in stock |
| P-1275178353 | 98 | As is | in stock |
| P-580195344 | 98 | As is | in stock |
| P-903076785 | 98 | As is | 1000 g |
| P-1264051002 | 99 | As is | in stock |
| P-580232768 | 95 | As is | by synthesis |
| P-606923822 | N/A | As is | in stock |
| P-489119797 | 97 | As is | in stock |
| P-596954785 | 98 | As is | 1000 g |
| P-1275495541 | 95 | As is | 2 g |
| P-1273457254 | 95 | As is | by resynthesis (? - ? days) |
| P-864197840 | 95 | As is | in stock |
| P-580699338 | 98 | As is | 11.5 g |
| P-901438797 | 95 | As is | by synthesis |
| P-893232107 | 95 | As is | in stock |
| P-454737974 | 90 | As is | in stock |
| P-436478016 | 95 | As is | in stock |
| P-851286737 | 95 | As is | by synthesis |
| P-868594905 | 97 | As is | in stock |
| P-1264367757 | 98 | As is | 130 g |
| P-608220496 | 98 | As is | in stock |
| P-870661913 | 98 | As is | in stock |
| P-505498239 | 95 | As is | in stock |
| P-856009297 | 99 | As is | 100 mg |
| P-852536326 | N/A | As is | by synthesis |
| P-905144695 | 95 | As is | in stock |
| P-854712433 | 95 | As is | in stock |
| P-474024170 | 95 | As is | in stock |
| P-608276498 | 98 | As is | in stock |
| P-500374888 | 98 | As is | by synthesis |
| P-1263956574 | 90 | As is | in stock |
| P-885542691 | 95 | As is | by synthesis |
| P-892223454 | 95 | As is | 99 mg |
| P-892289149 | 95 | As is | 1.599 g |
| P-892317461 | 95 | As is | 1.599 g |
| P-854962344 | 90 | As is | in stock |
| P-666971517 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 821.137 |
| logP | -0.8457 |
| H-bond acceptors | 12 |
| H-bond donors | 8 |
| Rotatable bonds | 15 |
| PSA | 199.89 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 145.6122 |
| Atoms | 60 |
| Rings | 1 |
| Heavy atoms | 34 |
| Hydrogen atoms | 26 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

