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MCULE-1553857299-2
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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 86 USD | 90 | 21 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1553857299-2.sdf |
| SMILES | MCULE-1553857299-2.smiles |
| Standard InChI | MCULE-1553857299-2.inchi |
| InChIKey | MCULE-1553857299-2.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867405035 | 90 | As an isomer | by synthesis |
| P-889912546 | 90 | As an isomer | by synthesis |
| P-577201544 | 90 | As an isomer | 53 mg |
| P-617314834 | 90 | As an isomer | in stock |
| P-890204904 | 90 | As an isomer | in stock |
| P-579486075 | 90 | As an isomer | 1.1 g |
| P-675502802 | 95 | As an isomer | in stock |
| P-502758041 | 90 | As an isomer | in stock |
| P-454361561 | 90 | As an isomer | 24 mg |
| P-874457372 | 95 | As an isomer | by synthesis |
| P-580475012 | N/A | As an isomer | by synthesis |
| P-895175956 | 95 | As an isomer | by synthesis |
| P-19222075 | 90 | As an isomer | in stock |
| P-33894877 | 90 | As an isomer | in stock |
| P-903643944 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-611495587 | 90 | As an isomer | in stock |
| P-3246593 | 90 | As an isomer | 1.073 g |
| P-974979 | 90 | As an isomer | 1.073 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 175.230 |
| logP | 1.6761 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 53.11 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.9831 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
