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MCULE-5572115071-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5572115071-0.sdf |
| SMILES | MCULE-5572115071-0.smiles |
| Standard InChI | MCULE-5572115071-0.inchi |
| InChIKey | MCULE-5572115071-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1268993662 | N/A | As is | by synthesis |
| P-893032937 | N/A | As an isomer | by synthesis |
| P-596335208 | 90 | As an isomer | 217 mg |
| P-596511022 | 90 | As an isomer | 217 mg |
| P-4876696 | 90 | As an isomer | 5 mg |
| P-4179288 | 90 | As an isomer | 34 mg |
| P-502592534 | 90 | As an isomer | in stock |
| P-12515653 | 92 | As an isomer | 300 mg |
| P-12364057 | 90 | As an isomer | 50 mg |
| P-23812539 | 92 | As an isomer | 300 mg |
| P-18831589 | 90 | As an isomer | in stock |
| P-12515473 | 90 | As an isomer | 13 mg |
| P-903641490 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-1916403 | 90 | As an isomer | 163 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 378.384 |
| logP | 0.7767 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 172.61 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 99.6186 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 10 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| 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 |
