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UNKNOWN STEREO
MCULE-4048123978-0
Structure
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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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 16 USD | 98 | 22 working days | Get Quote |
| 10 mg | 16 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4048123978-0.sdf |
| SMILES | MCULE-4048123978-0.smiles |
| Standard InChI | MCULE-4048123978-0.inchi |
| InChIKey | MCULE-4048123978-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867536025 | 98 | As is | in stock |
| P-875690556 | 98 | As is | in stock |
| P-1275198352 | 98 | As is | in stock |
| P-505401829 | 95 | As is | by resynthesis (? - ? days) |
| P-1270272419 | 98 | As is | in stock |
| P-606911968 | N/A | As is | in stock |
| P-596936213 | 98 | As is | 5.07 g |
| P-864176988 | 97 | As is | in stock |
| P-893236714 | 95 | As is | in stock |
| P-860798954 | 98 | As is | in stock |
| P-505515638 | 95 | As is | in stock |
| P-524442395 | 97 | As is | 899 mg |
| P-869130069 | 95 | As is | 554 mg |
| P-892291873 | 95 | As is | 554 mg |
| P-888642004 | 95 | As is | 554 mg |
| P-611383701 | 90 | As is | in stock |
| P-1271713631 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 416.467 |
| logP | 4.5626 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 96.78 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 107.3925 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
