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MCULE-9647127059
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 | 177 USD | 95 | 17 working days | Get Quote |
| 5 mg | 177 USD | 95 | 17 working days | Get Quote |
| 10 mg | 429 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9647127059.sdf |
| SMILES | MCULE-9647127059.smiles |
| Standard InChI | MCULE-9647127059.inchi |
| InChIKey | MCULE-9647127059.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266287386 | 98 | As is | in stock |
| P-893557009 | 90 | As is | 6.3 g |
| P-1270280623 | 98 | As is | in stock |
| P-888929616 | N/A | As is | by synthesis |
| P-1272042883 | 98 | As is | 2.1 g |
| P-895921413 | 95 | As is | by resynthesis (? - ? days) |
| P-901334584 | 95 | As is | in stock |
| P-901878110 | 98 | As is | by synthesis |
| P-861286781 | 98 | As is | in stock |
| P-887183449 | 95 | As is | by synthesis |
| P-889433490 | 98 | As is | 2.104 g |
| P-596601726 | 97 | As is | 100 mg |
| P-889882100 | 95 | As is | by synthesis |
| P-906885023 | 98 | As is | by synthesis |
| P-1271695360 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 461.020 |
| logP | 5.5291 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 111.36 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 125.7226 |
| Atoms | 60 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 29 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| 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 |
