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RELATIVE STEREO
MCULE-3462627258
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 | 18 USD | 97 | 20 working days | Get Quote |
| 5 mg | 18 USD | 97 | 20 working days | Get Quote |
| 10 mg | 18 USD | 97 | 20 working days | Get Quote |
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MCULE-1222229718
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3462627258.sdf |
| SMILES | MCULE-3462627258.smiles |
| Standard InChI | MCULE-3462627258.inchi |
| InChIKey | MCULE-3462627258.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580513717 | Manchester Organics | Stock compounds | 96 | As is | 34 g |
| P-580491124 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-498698784 | Synthonix | In-stock Building Blocks | 97 | As is | 134.724 kg |
| P-580465139 | Manchester Organics | Compounds on demand | N/A | As a main component | by synthesis |
| P-596774525 | Synthonix | In-stock Building Blocks | 97 | As a main component | 109 g |
| P-596774526 | Synthonix | In-stock Building Blocks | 97 | As a main component | 4.55 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 131.130 |
| logP | -0.8774 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 69.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 33.6853 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
