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UNKNOWN STEREO
MCULE-4860827401-0
Structure
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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 | 109 USD | 95 | 7 working days | Get Quote |
| 5 mg | 263 USD | 95 | 7 working days | Get Quote |
| 10 mg | 404 USD | 95 | 7 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-7449603319-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4860827401-0.sdf |
| SMILES | MCULE-4860827401-0.smiles |
| Standard InChI | MCULE-4860827401-0.inchi |
| InChIKey | MCULE-4860827401-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901328123 | N/A | As is | in stock |
| P-905020386 | N/A | As is | by synthesis |
| P-889795330 | 95 | As is | by synthesis |
| P-869115967 | 95 | As is | by synthesis |
| P-888631674 | 95 | As is | unavailable |
| P-869240245 | 95 | Main component | in stock |
| P-606888072 | N/A | Main component | in stock |
| P-893236909 | 95 | Main component | in stock |
| P-868078573 | 95 | Main component | in stock |
| P-869115970 | 95 | Main component | by synthesis |
| P-892288189 | 95 | Main component | unavailable |
| P-888631675 | 95 | Main component | 573 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1157.879 |
| logP | 8.4024 |
| H-bond acceptors | 20 |
| H-bond donors | 6 |
| Rotatable bonds | 28 |
| PSA | 242.5 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 327.1992 |
| Atoms | 168 |
| Rings | 9 |
| Heavy atoms | 83 |
| Hydrogen atoms | 85 |
| Heteroatoms | 21 |
| N/O atoms | 20 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
