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MCULE-4121712202
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 | 97 USD | 95 | 10 working days | Get Quote |
| 5 mg | 97 USD | 95 | 10 working days | Get Quote |
| 10 mg | 97 USD | 95 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-8869955404
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4121712202.sdf |
| SMILES | MCULE-4121712202.smiles |
| Standard InChI | MCULE-4121712202.inchi |
| InChIKey | MCULE-4121712202.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-866724966 | Apollo Scientific | In Stock | 95 | As is | 61 g |
| P-616198372 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-861549248 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-590851585 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-852458647 | Matrix Scientific | All | N/A | Main component | in stock |
| P-869023203 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 521.784 |
| logP | 2.8329 |
| H-bond acceptors | 9 |
| H-bond donors | 6 |
| Rotatable bonds | 3 |
| PSA | 158.26 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 117.3133 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 26 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
