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UNKNOWN STEREO
MCULE-1045729634
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 | 481 USD | N/A | 21 working days | Get Quote |
| 5 mg | 1790 USD | N/A | 21 working days | Get Quote |
| 10 mg | 3580 USD | N/A | 21 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-9480063684
- Component type: Main
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MCULE-2256470161
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1045729634.sdf |
| SMILES | MCULE-1045729634.smiles |
| Standard InChI | MCULE-1045729634.inchi |
| InChIKey | MCULE-1045729634.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869369371 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-852184998 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-889909578 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-881089995 | Angene | Building Blocks in stock | N/A | As a main component | 5 mg |
| P-611556225 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 491.182 |
| logP | -0.0186 |
| H-bond acceptors | 17 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 288.33 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 94.2429 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 16 |
| Heteroatoms | 20 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
