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UNKNOWN STEREO
MCULE-8727101779
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 | 23 USD | 95 | 20 working days | Get Quote |
| 5 mg | 23 USD | 95 | 20 working days | Get Quote |
| 10 mg | 23 USD | 95 | 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-8727101779.sdf |
| SMILES | MCULE-8727101779.smiles |
| Standard InChI | MCULE-8727101779.inchi |
| InChIKey | MCULE-8727101779.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867578068 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875738300 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869190429 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505388664 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-535624555 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580239180 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606929127 | AmBeed | In stock | N/A | As is | in stock |
| P-596951884 | Angene | Building Blocks in stock | 95 | As is | 20 g |
| P-864088376 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-505530276 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-890851140 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-881187887 | Otava | In-House Stock Library | 90 | As is | 500 mg |
| P-500385594 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-869177116 | TargetMol | Natural Products | 95 | As is | 421 mg |
| P-611366105 | Toronto Research | In stock | 90 | As is | in stock |
| P-611521637 | Toronto Research | In stock | 90 | As is | in stock |
| P-615452025 | eNovation Chemicals LLC | Building Blocks in stock | 96 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 525.076 |
| logP | 4.0484 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 92.78 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 99.4742 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 13 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
