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UNKNOWN STEREO
MCULE-4098757536
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 | 20 USD | N/A | 9 working days | Get Quote |
| 5 mg | 45 USD | 95 | 12 working days | Get Quote |
| 10 mg | 59 USD | 95 | 20 working days | Get Quote |
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1
MCULE-4128163510
- Component type: Main
-
1
MCULE-5396813937
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4098757536.sdf |
| SMILES | MCULE-4098757536.smiles |
| Standard InChI | MCULE-4098757536.inchi |
| InChIKey | MCULE-4098757536.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875831757 | 95 | Main component | in stock |
| P-1275188133 | 95 | Main component | in stock |
| P-580196032 | 98 | Main component | in stock |
| P-606835350 | N/A | Main component | in stock |
| P-1263091575 | N/A | Main component | by synthesis |
| P-596973194 | 95 | Main component | 5 g |
| P-864147905 | 99 | Main component | in stock |
| P-893241693 | 95 | Main component | in stock |
| P-505492321 | 95 | Main component | in stock |
| P-500390320 | 98 | Main component | by synthesis |
| P-1271712132 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 900.798 |
| logP | -3.765 |
| H-bond acceptors | 20 |
| H-bond donors | 10 |
| Rotatable bonds | 9 |
| PSA | 353.62 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 198.9114 |
| Atoms | 99 |
| Rings | 8 |
| Heavy atoms | 63 |
| Hydrogen atoms | 36 |
| Heteroatoms | 21 |
| N/O atoms | 20 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 12 |
| 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 |
