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MCULE-4972085451-0
Structure
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- InChIKey:
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- 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 | 66 USD | 97 | 10 working days | Get Quote |
| 5 mg | 82 USD | 97 | 10 working days | Get Quote |
| 10 mg | 112 USD | 97 | 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-1459023934-3
- Component type: Main
-
2
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4972085451-0.sdf |
| SMILES | MCULE-4972085451-0.smiles |
| Standard InChI | MCULE-4972085451-0.inchi |
| InChIKey | MCULE-4972085451-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890849253 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-855912836 | Key Organics | Building Blocks | 97 | As is | 994 mg |
| P-893294344 | Key Organics | Screening Compounds and Fragments | 97 | As is | 994 mg |
| P-856029329 | LaboTest | Screening Collection | 90 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 471.165 |
| logP | -0.2884 |
| H-bond acceptors | 15 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 257.88 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 81.4298 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 13 |
| Heteroatoms | 19 |
| N/O atoms | 15 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
