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MCULE-2545220759
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 94 USD | 90 | 8 working days | Get Quote |
| 10 mg | 110 USD | 90 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-2545220759.sdf |
| SMILES | MCULE-2545220759.smiles |
| Standard InChI | MCULE-2545220759.inchi |
| InChIKey | MCULE-2545220759.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-4202088 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-524169562 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
| P-596568764 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-856041113 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-31246335 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-500395377 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-889881055 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22527869 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.224 |
| logP | -2.1154 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 81.08 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 49.0856 |
| Atoms | 30 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
