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MCULE-3168053689-0
Structure
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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 | 72 USD | N/A | 9 working days | Get Quote |
| 5 mg | 72 USD | N/A | 9 working days | Get Quote |
| 10 mg | 72 USD | N/A | 9 working days | Get Quote |
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MCULE-1669268462-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3168053689-0.sdf |
| SMILES | MCULE-3168053689-0.smiles |
| Standard InChI | MCULE-3168053689-0.inchi |
| InChIKey | MCULE-3168053689-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892259136 | 95 | As is | unavailable |
| P-892341541 | 95 | As is | unavailable |
| P-1266828992 | N/A | As a main component | by synthesis |
| P-874624536 | N/A | As a main component | by resynthesis (? - ? days) |
| P-505401284 | 95 | As a main component | by resynthesis (? - ? days) |
| P-893584157 | 90 | As a main component | 1.533 g |
| P-1270284092 | 98 | As a main component | in stock |
| P-851931240 | N/A | As a main component | in stock |
| P-888829481 | 98 | As a main component | 100 mg |
| P-889779647 | 95 | As a main component | in stock |
| P-868079110 | 95 | As a main component | in stock |
| P-524166456 | 95 | As a main component | 1 mg |
| P-873251006 | 97 | As a main component | 5 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 492.571 |
| logP | 4.5223 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 86.38 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 157.7074 |
| Atoms | 65 |
| Rings | 6 |
| Heavy atoms | 37 |
| Hydrogen atoms | 28 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
