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UNKNOWN STEREO
MCULE-8781603070-0
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 | 128 USD | N/A | 14 working days | Get Quote |
| 5 mg | 128 USD | N/A | 14 working days | Get Quote |
| 10 mg | 128 USD | N/A | 14 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-4836044695-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8781603070-0.sdf |
| SMILES | MCULE-8781603070-0.smiles |
| Standard InChI | MCULE-8781603070-0.inchi |
| InChIKey | MCULE-8781603070-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869346565 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-896061398 | AmBeed | In stock | N/A | As is | in stock |
| P-889515207 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-893250414 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-611402166 | Toronto Research | In stock | 90 | As is | in stock |
| P-611462079 | Toronto Research | In stock | 90 | As is | in stock |
| P-893659340 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-869306658 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851432064 | AmBeed | On request | N/A | Main component | by synthesis |
| P-505513682 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-855361245 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 259.684 |
| logP | 2.0515 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 100.62 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 64.6837 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
