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UNKNOWN STEREO
MCULE-2138661539
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 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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MCULE-7986937036
- Component type: Main
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MCULE-2650562690
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2138661539.sdf |
| SMILES | MCULE-2138661539.smiles |
| Standard InChI | MCULE-2138661539.inchi |
| InChIKey | MCULE-2138661539.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-595215894 | 98 | As is | in stock |
| P-615730751 | 95 | As is | in stock |
| P-891645798 | N/A | As is | in stock |
| P-864142797 | 95 | As is | in stock |
| P-893232612 | 95 | As is | in stock |
| P-505526250 | 95 | As is | in stock |
| P-854979161 | 90 | As is | in stock |
| P-1266284022 | 95 | As a main component | in stock |
| P-867547880 | 98 | As a main component | in stock |
| P-1265969625 | 95 | As a main component | in stock |
| P-875705131 | 98 | As a main component | in stock |
| P-505350581 | 97 | As a main component | in stock |
| P-881671437 | 95 | As a main component | in stock |
| P-608444372 | 95 | As a main component | by synthesis |
| P-606910456 | N/A | As a main component | in stock |
| P-596940325 | 98 | As a main component | 50 g |
| P-881651444 | 98 | As a main component | in stock |
| P-893232999 | 95 | As a main component | in stock |
| P-505526255 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 459.456 |
| logP | 0.9904 |
| H-bond acceptors | 13 |
| H-bond donors | 7 |
| Rotatable bonds | 10 |
| PSA | 202.77 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 125.9323 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 25 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
