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MCULE-2581901814
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 | 11 USD | 98 | 8 working days | Get Quote |
| 5 mg | 11 USD | 98 | 8 working days | Get Quote |
| 10 mg | 11 USD | 98 | 8 working days | Get Quote |
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1
MCULE-8814462990
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2581901814.sdf |
| SMILES | MCULE-2581901814.smiles |
| Standard InChI | MCULE-2581901814.inchi |
| InChIKey | MCULE-2581901814.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895913067 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-616205902 | BLD pharm | In-stock building blocks | 98 | As is | 30 g |
| P-868645979 | Combi-Blocks | Building Block in stock | 99 | As is | in stock |
| P-852462170 | Matrix Scientific | All | N/A | As is | in stock |
| P-580091325 | Iris Biotech GmbH | Building Block Library | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 619.774 |
| logP | 6.9142 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 15 |
| PSA | 201.31 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 166.053 |
| Atoms | 88 |
| Rings | 3 |
| Heavy atoms | 43 |
| Hydrogen atoms | 45 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
