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UNKNOWN STEREO
MCULE-9940101576
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 | 100 USD | N/A | 14 working days | Get Quote |
| 5 mg | 251 USD | N/A | 14 working days | Get Quote |
| 10 mg | 375 USD | 95 | 45 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-4167420470
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9940101576.sdf |
| SMILES | MCULE-9940101576.smiles |
| Standard InChI | MCULE-9940101576.inchi |
| InChIKey | MCULE-9940101576.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263076363 | N/A | As is | in stock |
| P-881652496 | 98 | As is | in stock |
| P-1263785832 | 95 | As is | in stock |
| P-893260484 | 95 | As is | by synthesis |
| P-901517631 | 95 | As is | by synthesis |
| P-904256581 | 95 | Main component | in stock |
| P-869125602 | 95 | Main component | by synthesis |
| P-888639154 | 95 | Main component | unavailable |
| P-867539750 | N/A | Main component as a main component | in stock |
| P-875694694 | N/A | Main component as a main component | in stock |
| P-851406923 | N/A | Main component as a main component | by synthesis |
| P-596981573 | 97 | Main component as a main component | 25 mg |
| P-904976036 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 587.467 |
| logP | 0.1139 |
| H-bond acceptors | 13 |
| H-bond donors | 6 |
| Rotatable bonds | 12 |
| PSA | 226.14 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 128.03 |
| Atoms | 71 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 32 |
| Heteroatoms | 16 |
| N/O atoms | 13 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| 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 |
