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UNKNOWN STEREO
MCULE-5800172956
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 | 21 USD | N/A | 9 working days | Get Quote |
| 5 mg | 21 USD | N/A | 9 working days | Get Quote |
| 10 mg | 21 USD | N/A | 9 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-5300778199
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5800172956.sdf |
| SMILES | MCULE-5800172956.smiles |
| Standard InChI | MCULE-5800172956.inchi |
| InChIKey | MCULE-5800172956.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-616216711 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851945366 | AmBeed | In stock | N/A | As is | in stock |
| P-896035028 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-855313632 | Toronto Research | In stock | 90 | As is | in stock |
| P-875813091 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-596969968 | Angene | Building Blocks in stock | 98 | Main component | 600 g |
| P-892262402 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892343788 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| 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 |
