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P-852100455
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- InChIKey:
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- InChI:
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| 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.
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|
|---|---|---|---|---|
| 1 mg | 1487 USD | N/A | 27 working days | Get Quote |
| 5 mg | 1487 USD | N/A | 27 working days | Get Quote |
| 10 mg | 3315 USD | N/A | 27 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | P-852100455.sdf |
| SMILES | P-852100455.smiles |
| Standard InChI | P-852100455.inchi |
| InChIKey | P-852100455.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852100455 | A2B Chem | Predominantly Building Block on demand | N/A | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 566.159 |
| logP | 5.6906 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 160.52 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 153.0256 |
| Atoms | 67 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 32 |
| Heteroatoms | 13 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
