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MCULE-5164024078
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.
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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 | 98 USD | 99 | 14 working days | Get Quote |
| 5 mg | 98 USD | 99 | 14 working days | Get Quote |
| 10 mg | 98 USD | 99 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-9160993303
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5164024078.sdf |
| SMILES | MCULE-5164024078.smiles |
| Standard InChI | MCULE-5164024078.inchi |
| InChIKey | MCULE-5164024078.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-903162242 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 100 mg |
| P-900267458 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-887322164 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-619674310 | Molnova | Stock | 98 | As is | in stock |
| P-903368893 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1664.886 |
| logP | 2.6834 |
| H-bond acceptors | 40 |
| H-bond donors | 23 |
| Rotatable bonds | 64 |
| PSA | 668.28 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 432.9838 |
| Atoms | 227 |
| Rings | 6 |
| Heavy atoms | 118 |
| Hydrogen atoms | 109 |
| Heteroatoms | 41 |
| N/O atoms | 40 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 12 |
| 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 |
