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UNKNOWN STEREO
MCULE-4908547112-0
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 | 6 USD | N/A | 9 working days | Get Quote |
| 5 mg | 6 USD | N/A | 9 working days | Get Quote |
| 10 mg | 6 USD | N/A | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-4204877494-0
- Component type: Main
-
1
MCULE-7567469160-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4908547112-0.sdf |
| SMILES | MCULE-4908547112-0.smiles |
| Standard InChI | MCULE-4908547112-0.inchi |
| InChIKey | MCULE-4908547112-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893146775 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869147190 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888649179 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-855366068 | Toronto Research | In stock | 90 | As is | in stock |
| P-875704329 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869194456 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-505390046 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-580265714 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-606858855 | AmBeed | In stock | N/A | Main component | in stock |
| P-596940119 | Angene | Building Blocks in stock | 99 | Main component | 10.5 kg |
| P-864151030 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-893260491 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-580401953 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-505497248 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-427930130 | InterBioScreen | Natural Compounds | 92 | Main component | 300 mg |
| P-666812483 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-590241706 | Pharmeks LLC | Semi-natural compounds | 92 | Main component | 300 mg |
| P-500405607 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-892213664 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892286518 | TargetMol | In Stock BB | 95 | Main component | 399 mg |
| P-892310045 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 399 mg |
| P-502329609 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-886927760 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 218.250 |
| logP | -0.7813 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 89.87 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 58.1233 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
