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UNKNOWN STEREO
MCULE-5114571492
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 | 12 USD | 98 | 16 working days | Get Quote |
| 5 mg | 26 USD | 98 | 20 working days | Get Quote |
| 10 mg | 42 USD | 98 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-5465068522
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5114571492.sdf |
| SMILES | MCULE-5114571492.smiles |
| Standard InChI | MCULE-5114571492.inchi |
| InChIKey | MCULE-5114571492.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867549889 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-869240034 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606880924 | AmBeed | In stock | N/A | As is | in stock |
| P-596941108 | Angene | Building Blocks in stock | 98 | As is | 5.014 g |
| P-881653996 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864158548 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860799707 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-505550204 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-888655562 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-525177090 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-855344784 | Toronto Research | In stock | 90 | As is | in stock |
| P-868496237 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| P-860799706 | Chiralstar | Chiralstar Building Blocks | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 442.472 |
| logP | 5.5659 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 56.33 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 122.9315 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 25 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
