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UNKNOWN STEREO
MCULE-4179707697
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 USD | 98 | 20 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-4037288380
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4179707697.sdf |
| SMILES | MCULE-4179707697.smiles |
| Standard InChI | MCULE-4179707697.inchi |
| InChIKey | MCULE-4179707697.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875706583 | N/A | As is | in stock |
| P-869263521 | 98 | As is | in stock |
| P-606934321 | N/A | As is | in stock |
| P-619125693 | 98 | As is | 2 g |
| P-864150085 | 95 | As is | in stock |
| P-868543841 | 99 | As is | in stock |
| P-893222575 | 95 | As is | in stock |
| P-860799010 | 98 | As is | in stock |
| P-524439908 | 97 | As is | 394 mg |
| P-594275454 | 95 | As is | by synthesis |
| P-892298315 | 95 | As is | 996 mg |
| P-888658068 | 95 | As is | 996 mg |
| P-855019511 | 90 | As is | in stock |
| P-893091354 | N/A | Main component | by synthesis |
| P-864162107 | 95 | Main component | in stock |
| P-505540430 | 95 | Main component | in stock |
| P-675333620 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 624.773 |
| logP | 4.525 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 193.17 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 166.6399 |
| Atoms | 82 |
| Rings | 4 |
| Heavy atoms | 42 |
| Hydrogen atoms | 40 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| 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 |
