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MCULE-4094009036-0
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 | 23 USD | 98 | 22 working days | Get Quote |
| 5 mg | 36 USD | 98 | 22 working days | Get Quote |
| 10 mg | 58 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4094009036-0.sdf |
| SMILES | MCULE-4094009036-0.smiles |
| Standard InChI | MCULE-4094009036-0.inchi |
| InChIKey | MCULE-4094009036-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903156196 | 97 | As is | 1.25 g |
| P-890240689 | 97 | As is | 410 mg |
| P-887189676 | 95 | As is | by synthesis |
| P-854622134 | 98 | As is | in stock |
| P-854693829 | 95 | As is | in stock |
| P-584626767 | 95 | As is | in stock |
| P-888174183 | 98 | As is | by synthesis |
| P-906885133 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 359.329 |
| logP | 1.7252 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 7 |
| PSA | 147.32 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 93.1135 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 17 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
