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UNKNOWN STEREO
MCULE-5327889123
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 | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 6 USD | N/A | 14 working days | Get Quote |
| 10 mg | 8 USD | N/A | 14 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-5327889123.sdf |
| SMILES | MCULE-5327889123.smiles |
| Standard InChI | MCULE-5327889123.inchi |
| InChIKey | MCULE-5327889123.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867538969 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875694769 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-856059965 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606944963 | AmBeed | In stock | N/A | As is | in stock |
| P-868545706 | Axon Medchem | Axon predominantly SC catalog | 100 | As is | in stock |
| P-860799598 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-500409681 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888657732 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869162360 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-886923438 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 529.452 |
| logP | 2.0474 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 167.99 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 125.5317 |
| Atoms | 65 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 29 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
