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UNKNOWN STEREO
MCULE-4417284526
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4417284526.sdf |
| SMILES | MCULE-4417284526.smiles |
| Standard InChI | MCULE-4417284526.inchi |
| InChIKey | MCULE-4417284526.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867549554 | 98 | As is | in stock |
| P-875707276 | N/A | As is | in stock |
| P-869186621 | 95 | As is | in stock |
| P-505352259 | 98 | As is | in stock |
| P-580232224 | 95 | As is | by synthesis |
| P-606888506 | N/A | As is | in stock |
| P-596926773 | 97 | As is | 1000 g |
| P-868545777 | 98 | As is | in stock |
| P-893219052 | 95 | As is | in stock |
| P-893229278 | 95 | As is | in stock |
| P-860799567 | 98 | As is | in stock |
| P-580452388 | 99 | As is | in stock |
| P-505513537 | 95 | As is | in stock |
| P-890852461 | 90 | As is | in stock |
| P-13724884 | 95 | As is | 300 mg |
| P-524441551 | 97 | As is | 5.077 g |
| P-881190663 | 90 | As is | 50 mg |
| P-500376134 | 98 | As is | by synthesis |
| P-590489741 | 90 | As is | 234 mg |
| P-869119853 | 95 | As is | by synthesis |
| P-892289297 | 95 | As is | 1.057 g |
| P-888634717 | 95 | As is | 1.057 g |
| P-2052678 | 90 | As is | 122 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 409.424 |
| logP | 4.9533 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 60.77 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.9728 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
