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MCULE-9978258133-1
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 | 340 USD | 94 | 23 working days | Get Quote |
| 5 mg | 340 USD | 94 | 23 working days | Get Quote |
| 10 mg | 408 USD | 95 | 42 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9978258133-1.sdf |
| SMILES | MCULE-9978258133-1.smiles |
| Standard InChI | MCULE-9978258133-1.inchi |
| InChIKey | MCULE-9978258133-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901361041 | 95 | As an isomer | by synthesis |
| P-675328669 | 95 | As an isomer | by synthesis |
| P-492219297 | 95 | As an isomer | in stock |
| P-502916989 | 90 | As an isomer | in stock |
| P-1275312127 | 90 | As an isomer | 330 mg |
| P-874457394 | 95 | As an isomer | by synthesis |
| P-33462555 | 90 | As an isomer | in stock |
| P-502354025 | 90 | As an isomer | in stock |
| P-888433458 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-1271513579 | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 238.715 |
| logP | 2.1584 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 56.35 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 74.0101 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
