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MCULE-5679138224
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.
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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.
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|---|---|---|---|---|
| 1 mg | 421 USD | N/A | 27 working days | Get Quote |
| 5 mg | 421 USD | N/A | 27 working days | Get Quote |
| 10 mg | 421 USD | N/A | 27 working days | Get Quote |
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MCULE-1042016090
- Component type: Main
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MCULE-1140132356
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5679138224.sdf |
| SMILES | MCULE-5679138224.smiles |
| Standard InChI | MCULE-5679138224.inchi |
| InChIKey | MCULE-5679138224.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-871219252 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-887323032 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-887314570 | AsisChem | In-stock Compounds for biological screening | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1096.327 |
| logP | 5.3483 |
| H-bond acceptors | 21 |
| H-bond donors | 13 |
| Rotatable bonds | 19 |
| PSA | 405.68 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 314.3096 |
| Atoms | 146 |
| Rings | 6 |
| Heavy atoms | 77 |
| Hydrogen atoms | 69 |
| Heteroatoms | 23 |
| N/O atoms | 21 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| 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 |
