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MCULE-2953666329-0
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 | 86 USD | 98 | 16 working days | Get Quote |
| 5 mg | 159 USD | 98 | 16 working days | Get Quote |
| 10 mg | 256 USD | 98 | 16 working days | Get Quote |
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1
MCULE-6740827065-0
- Component type: Main
-
1
MCULE-5646000632-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2953666329-0.sdf |
| SMILES | MCULE-2953666329-0.smiles |
| Standard InChI | MCULE-2953666329-0.inchi |
| InChIKey | MCULE-2953666329-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893456816 | 90 | As is | 1.105 g |
| P-893584470 | 90 | Main component | 858 mg |
| P-489122560 | 97 | Main component | in stock |
| P-900267438 | N/A | Main component | by resynthesis (? - ? days) |
| P-851268073 | 95 | Main component | by synthesis |
| P-608495501 | 95 | Main component | in stock |
| P-608097989 | 95 | Main component | in stock |
| P-474026731 | 95 | Main component | in stock |
| P-878642821 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1160.306 |
| logP | 4.2122 |
| H-bond acceptors | 27 |
| H-bond donors | 14 |
| Rotatable bonds | 40 |
| PSA | 489.02 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 289.1349 |
| Atoms | 144 |
| Rings | 4 |
| Heavy atoms | 79 |
| Hydrogen atoms | 65 |
| Heteroatoms | 30 |
| N/O atoms | 27 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
