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MCULE-3852614613
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 | 82 USD | 98 | 22 working days | Get Quote |
| 5 mg | 172 USD | 95 | 14 working days | Get Quote |
| 10 mg | 202 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3852614613.sdf |
| SMILES | MCULE-3852614613.smiles |
| Standard InChI | MCULE-3852614613.inchi |
| InChIKey | MCULE-3852614613.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263866418 | 90 | As is | 3.56 g |
| P-591074324 | 98 | As is | by synthesis |
| P-851283772 | 95 | As is | by synthesis |
| P-579480205 | 95 | As is | in stock |
| P-854712818 | 95 | As is | in stock |
| P-474022053 | 95 | As is | in stock |
| P-888169647 | 98 | As is | by synthesis |
| P-867616664 | 98 | As an isomer | in stock |
| P-875778142 | N/A | As an isomer | in stock |
| P-903120924 | N/A | As an isomer | 50 mg |
| P-895097228 | N/A | As an isomer | 50 mg |
| P-524166463 | 95 | As an isomer | 50 mg |
| P-893888429 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 408.457 |
| logP | 2.29788 |
| H-bond acceptors | 10 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 114.01 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 111.6767 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 24 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
