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UNKNOWN STEREO
MCULE-8116406540
Compound
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- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-7512955635
- Component type: Main
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MCULE-8144552043
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8116406540.sdf |
| SMILES | MCULE-8116406540.smiles |
| Standard InChI | MCULE-8116406540.inchi |
| InChIKey | MCULE-8116406540.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886659927 | 98 | As is | in stock |
| P-890178080 | N/A | As is | in stock |
| P-505346924 | 98 | As is | in stock |
| P-865928782 | 97 | As is | unavailable |
| P-893253677 | 95 | As is | by synthesis |
| P-868079589 | 95 | As is | in stock |
| P-890849905 | 95 | As is | in stock |
| P-524440236 | 97 | As is | 848 mg |
| P-867550900 | N/A | As a main component | in stock |
| P-875708707 | N/A | As a main component | in stock |
| P-590379827 | 99 | As a main component | in stock |
| P-617802646 | 90 | As a main component | 232 mg |
| P-893980050 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1069.222 |
| logP | 1.5235 |
| H-bond acceptors | 26 |
| H-bond donors | 14 |
| Rotatable bonds | 23 |
| PSA | 486.01 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 292.9229 |
| Atoms | 138 |
| Rings | 4 |
| Heavy atoms | 74 |
| Hydrogen atoms | 64 |
| Heteroatoms | 28 |
| N/O atoms | 26 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
