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MCULE-5179978105
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 | 65 USD | 90 | 10 working days | Get Quote |
| 5 mg | 74 USD | 95 | 19 working days | Get Quote |
| 10 mg | 74 USD | 95 | 19 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-5179978105.sdf |
| SMILES | MCULE-5179978105.smiles |
| Standard InChI | MCULE-5179978105.inchi |
| InChIKey | MCULE-5179978105.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852123723 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-869308870 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851421490 | AmBeed | On request | N/A | As is | by synthesis |
| P-611011458 | BLD pharm | Non-stock building blocks | 90 | As is | by synthesis |
| P-454378442 | Key Organics | Building Blocks | 90 | As is | 7.164 g |
| P-18697716 | Key Organics | Screening Compounds and Fragments | 90 | As is | 7.164 g |
| P-852548826 | Matrix Scientific | All | N/A | As is | in stock |
| P-869063777 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23113302 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-855335666 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.697 |
| logP | 3.6628 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 29.6 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.9115 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
