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MCULE-5842438729
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 | 46 USD | 90 | 23 working days | Get Quote |
| 5 mg | 74 USD | 90 | 23 working days | Get Quote |
| 10 mg | 88 USD | 90 | 23 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-5842438729.sdf |
| SMILES | MCULE-5842438729.smiles |
| Standard InChI | MCULE-5842438729.inchi |
| InChIKey | MCULE-5842438729.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-563678271 | Key Organics | Building Blocks | 95 | As is | 50 mg |
| P-869073034 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492277656 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.626 g |
| P-12465497 | Otava | In-House Stock Library | 90 | As is | 1.626 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.243 |
| logP | 2.144 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.2176 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
