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MCULE-3581111052
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 | 39 USD | 98 | 22 working days | Get Quote |
| 5 mg | 39 USD | 98 | 22 working days | Get Quote |
| 10 mg | 65 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3581111052.sdf |
| SMILES | MCULE-3581111052.smiles |
| Standard InChI | MCULE-3581111052.inchi |
| InChIKey | MCULE-3581111052.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489131149 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-870132359 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-580726759 | BLD pharm | In-stock building blocks | 98 | As is | 113 mg |
| P-881633938 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-851268609 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861520735 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579479559 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854713515 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474023828 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888169306 | Molnova | On demand | 98 | As is | by synthesis |
| P-579712172 | Selleckchem | Product Catalog | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 462.590 |
| logP | 4.8077 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 124.85 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 139.6225 |
| Atoms | 68 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 34 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
