MCULE-6937238880
- 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 | 182 USD | 95 | 35 working days | Get Quote |
| 5 mg | 182 USD | 95 | 35 working days | Get Quote |
| 10 mg | 364 USD | 95 | 35 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6937238880.sdf |
| SMILES | MCULE-6937238880.smiles |
| Standard InChI | MCULE-6937238880.inchi |
| InChIKey | MCULE-6937238880.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867294246 | 98 | As is | by synthesis |
| P-901188393 | 98 | As is | by synthesis |
| P-615723682 | 95 | As is | by resynthesis (? - ? days) |
| P-1264526001 | N/A | As is | 5 mg |
| P-907351537 | 90 | As is | 15 mg |
| P-580236089 | 95 | As is | by synthesis |
| P-851846006 | N/A | As is | by synthesis |
| P-489206758 | 97 | As is | in stock |
| P-591024745 | 98 | As is | by synthesis |
| P-851242488 | 95 | As is | by synthesis |
| P-878209939 | 95 | As is | 5 mg |
| P-852520800 | 95 | As is | by synthesis |
| P-899993631 | 95 | As is | by synthesis |
| P-892307022 | 95 | As is | in stock |
| P-869169560 | 95 | As is | unavailable |
| P-888662473 | 95 | As is | unavailable |
| P-611455669 | 90 | As is | in stock |
| P-894011502 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.172 |
| logP | 0.9801 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 86.99 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.5975 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

