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MCULE-5000904038
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 | 30 USD | 99 | 15 working days | Get Quote |
| 5 mg | 67 USD | 99 | 14 working days | Get Quote |
| 10 mg | 99 USD | 99 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5000904038.sdf |
| SMILES | MCULE-5000904038.smiles |
| Standard InChI | MCULE-5000904038.inchi |
| InChIKey | MCULE-5000904038.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903132538 | 99 | As is | 5 g |
| P-893576855 | 90 | As is | 7.4 g |
| P-590595491 | 99 | As is | 4.59 g |
| P-851314943 | 95 | As is | by synthesis |
| P-868571394 | 98 | As is | in stock |
| P-905437495 | 98 | As is | 1.216 g |
| P-854720957 | 95 | As is | in stock |
| P-1268713615 | 95 | As is | by synthesis |
| P-589631639 | 98 | As is | in stock |
| P-617404128 | 98 | As is | in stock |
| P-906799036 | 99 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 785.268 |
| logP | 4.1665 |
| H-bond acceptors | 15 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 222.29 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 213.4421 |
| Atoms | 92 |
| Rings | 7 |
| Heavy atoms | 55 |
| Hydrogen atoms | 37 |
| Heteroatoms | 17 |
| N/O atoms | 15 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
