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MCULE-4260792813
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 | 137 USD | 98 | 17 working days | Get Quote |
| 5 mg | 194 USD | 95 | 8 working days | Get Quote |
| 10 mg | 194 USD | 95 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4260792813.sdf |
| SMILES | MCULE-4260792813.smiles |
| Standard InChI | MCULE-4260792813.inchi |
| InChIKey | MCULE-4260792813.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-612927466 | N/A | As is | by synthesis |
| P-869326299 | 95 | As is | in stock |
| P-872727503 | 98 | As is | in stock |
| P-901501749 | 95 | As is | by synthesis |
| P-873251514 | 95 | As is | 5 mg |
| P-854701664 | 95 | As is | by synthesis |
| P-584619590 | 95 | As is | in stock |
| P-505618279 | 95 | As is | in stock |
| P-869119299 | 95 | As is | by synthesis |
| P-888634230 | 95 | As is | unavailable |
| P-893752617 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 595.721 |
| logP | 6.6688 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 17 |
| PSA | 131.39 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 164.2163 |
| Atoms | 88 |
| Rings | 4 |
| Heavy atoms | 43 |
| Hydrogen atoms | 45 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
