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MCULE-4154113293
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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4154113293.sdf |
| SMILES | MCULE-4154113293.smiles |
| Standard InChI | MCULE-4154113293.inchi |
| InChIKey | MCULE-4154113293.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-427958674 | 90 | As is | 5 mg |
| P-3807009 | 90 | As is | 3 mg |
| P-619339760 | 90 | As is | 111 mg |
| P-425265913 | 90 | As is | in stock |
| P-502728051 | 90 | As is | in stock |
| P-502728676 | 90 | As is | in stock |
| P-617827621 | 92 | As is | 300 mg |
| P-621082960 | 90 | As is | by synthesis |
| P-424808848 | 90 | As is | in stock |
| P-19579671 | 90 | As is | in stock |
| P-12365967 | 90 | As is | 86 mg |
| P-33861559 | 90 | As is | in stock |
| P-903622728 | 94 | As is | by resynthesis (? - ? days) |
| P-903622771 | 94 | As is | by resynthesis (? - ? days) |
| P-1619627 | 90 | As is | 124 mg |
| P-1421619 | 90 | As is | 93 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 400.251 |
| logP | 4.1298 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 95.86 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 105.2974 |
| Atoms | 34 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
