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MCULE-3988649232
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 | 501 USD | 90 | 29 working days | Get Quote |
| 5 mg | 501 USD | 90 | 29 working days | Get Quote |
| 10 mg | 501 USD | 90 | 29 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3988649232.sdf |
| SMILES | MCULE-3988649232.smiles |
| Standard InChI | MCULE-3988649232.inchi |
| InChIKey | MCULE-3988649232.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867484848 | 97 | As is | by synthesis |
| P-901232391 | 97 | As is | by synthesis |
| P-894620937 | 95 | As is | by resynthesis (? - ? days) |
| P-1274455284 | 90 | As is | by synthesis |
| P-851578445 | N/A | As is | by synthesis |
| P-864252582 | 95 | As is | by synthesis |
| P-590929160 | 95 | As is | by synthesis |
| P-851288176 | 95 | As is | by synthesis |
| P-596599877 | 97 | As is | 100 mg |
| P-1271629737 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 443.336 |
| logP | 4.5399 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 79.78 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 113.8449 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 23 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
