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MCULE-2220727658
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 | 38 USD | 95 | 7 working days | Get Quote |
| 5 mg | 84 USD | 95 | 7 working days | Get Quote |
| 10 mg | 121 USD | 95 | 7 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2220727658.sdf |
| SMILES | MCULE-2220727658.smiles |
| Standard InChI | MCULE-2220727658.inchi |
| InChIKey | MCULE-2220727658.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875789029 | 98 | As is | in stock |
| P-901921282 | 99 | As is | 31 mg |
| P-851299491 | 95 | As is | by synthesis |
| P-1263264657 | 95 | As is | by synthesis |
| P-895182693 | 95 | As is | in stock |
| P-474025468 | 95 | As is | in stock |
| P-867626566 | 98 | As an isomer | in stock |
| P-869319366 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-904326295 | 90 | As an isomer | 228 mg |
| P-1270391522 | 99 | As an isomer | in stock |
| P-901180334 | N/A | As an isomer | in stock |
| P-904979352 | 95 | As an isomer | by synthesis |
| P-901527685 | 95 | As an isomer | by synthesis |
| P-904251598 | 95 | As an isomer | unavailable |
| P-892259175 | 95 | As an isomer | 16 mg |
| P-892341558 | 95 | As an isomer | 16 mg |
| P-1271701920 | 99 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 494.669 |
| logP | 8.247 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 61.97 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 158.3321 |
| Atoms | 75 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 38 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
