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MCULE-4107297969-0
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 | 5 USD | 95 | 8 working days | Get Quote |
| 5 mg | 5 USD | 95 | 8 working days | Get Quote |
| 10 mg | 5 USD | 95 | 8 working days | Get Quote |
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1
MCULE-3643444072-0
- Component type: Counter Ion
-
1
MCULE-5059719804-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4107297969-0.sdf |
| SMILES | MCULE-4107297969-0.smiles |
| Standard InChI | MCULE-4107297969-0.inchi |
| InChIKey | MCULE-4107297969-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-494344041 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-580722737 | BLD pharm | In-stock building blocks | 95 | As is | 16.5 g |
| P-851247928 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868580023 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-861928508 | FluoroChem | General BB | 95 | As is | in stock |
| P-579621244 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852459017 | Matrix Scientific | All | N/A | As is | in stock |
| P-854726085 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 264.276 |
| logP | -0.507 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 3 |
| PSA | 167.1 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 61.466 |
| Atoms | 38 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
