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MCULE-5258056641-0
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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1
MCULE-4801407549-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5258056641-0.sdf |
| SMILES | MCULE-5258056641-0.smiles |
| Standard InChI | MCULE-5258056641-0.inchi |
| InChIKey | MCULE-5258056641-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-18957664 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-557521 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 69 mg |
| P-596730215 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-896138994 | Specs | Screening Compounds | 90 | Main component | 10 mg |
| P-578056412 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 110 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 435.335 |
| logP | 3.5453 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 128.98 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 98.2574 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 23 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
