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MCULE-9985892608
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 | 72 USD | 95 | 10 working days | Get Quote |
| 5 mg | 89 USD | 95 | 10 working days | Get Quote |
| 10 mg | 115 USD | 95 | 27 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-4856443512
- Component type: Main
-
1
MCULE-5852208511
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9985892608.sdf |
| SMILES | MCULE-9985892608.smiles |
| Standard InChI | MCULE-9985892608.inchi |
| InChIKey | MCULE-9985892608.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-18769524 | 95 | As is | 39.947 g |
| P-454415051 | 95 | As is | 39.947 g |
| P-867559336 | 97 | Main component | in stock |
| P-875719032 | N/A | Main component | in stock |
| P-615729389 | 95 | Main component | in stock |
| P-851747506 | N/A | Main component | by synthesis |
| P-489119001 | 97 | Main component | in stock |
| P-494316496 | 95 | Main component | by resynthesis (? - ? days) |
| P-864228877 | 95 | Main component | by synthesis |
| P-590927315 | 95 | Main component | by synthesis |
| P-851251278 | 95 | Main component | by synthesis |
| P-454297702 | 90 | Main component | 63 mg |
| P-852464218 | N/A | Main component | in stock |
| P-611419106 | 90 | Main component | in stock |
| P-893134506 | N/A | Main component as a main component | by synthesis |
| P-893815442 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 405.289 |
| logP | 3.3021 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 106.86 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 79.8751 |
| Atoms | 44 |
| Rings | 1 |
| Heavy atoms | 27 |
| Hydrogen atoms | 17 |
| Heteroatoms | 12 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
