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MCULE-2229160831-0
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 | 29 USD | 98 | 8 working days | Get Quote |
| 5 mg | 63 USD | 98 | 16 working days | Get Quote |
| 10 mg | 83 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2229160831-0.sdf |
| SMILES | MCULE-2229160831-0.smiles |
| Standard InChI | MCULE-2229160831-0.inchi |
| InChIKey | MCULE-2229160831-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903008039 | 98 | As is | 3 g |
| P-904320495 | 90 | As is | 7.43 g |
| P-489237812 | 97 | As is | in stock |
| P-580725107 | 98 | As is | 301 mg |
| P-851249196 | 95 | As is | by synthesis |
| P-861367727 | 96 | As is | by synthesis |
| P-579479068 | 95 | As is | in stock |
| P-901409521 | 98 | As is | 3 g |
| P-856082011 | 95 | As is | by resynthesis (? - ? days) |
| P-1272597826 | 95 | As is | 1000 mg |
| P-852522998 | 95 | As is | by synthesis |
| P-854718224 | 95 | As is | in stock |
| P-871070823 | 95 | As is | in stock |
| P-608269561 | 98 | As is | in stock |
| P-579712123 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 500.630 |
| logP | 4.5694 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 119.64 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 137.6039 |
| Atoms | 68 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 33 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
