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UNKNOWN STEREO
MCULE-4895858315
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 | 35 USD | N/A | 14 working days | Get Quote |
| 5 mg | 35 USD | N/A | 14 working days | Get Quote |
| 10 mg | 35 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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MCULE-4731582775
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4895858315.sdf |
| SMILES | MCULE-4895858315.smiles |
| Standard InChI | MCULE-4895858315.inchi |
| InChIKey | MCULE-4895858315.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867609045 | A2B Chem | Predominantly Building Block in stock | 99 | As a main component | in stock |
| P-875768033 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-616216714 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-856055350 | Aldlab Chemicals | Building Block Custom Synth | 95 | As a main component | by synthesis |
| P-867712684 | AmBeed | In stock | N/A | As a main component | in stock |
| P-666968650 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 574.691 |
| logP | 6.0311 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 14 |
| PSA | 175.29 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 151.8146 |
| Atoms | 78 |
| Rings | 3 |
| Heavy atoms | 40 |
| Hydrogen atoms | 38 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
