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MCULE-5825231322
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 | 85 USD | 95 | 22 working days | Get Quote |
| 5 mg | 85 USD | 95 | 22 working days | Get Quote |
| 10 mg | 120 USD | 95 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5825231322.sdf |
| SMILES | MCULE-5825231322.smiles |
| Standard InChI | MCULE-5825231322.inchi |
| InChIKey | MCULE-5825231322.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580410879 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862384666 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-579664561 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-580470030 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852599984 | Matrix Scientific | All | N/A | As is | in stock |
| P-519755749 | Maybridge | Maybridge Building Blocks | 95 | As is | 36.9 g |
| P-428014395 | Maybridge | Screening Collection | 95 | As is | 36.9 kg |
| P-502373202 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611587638 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 190.267 |
| logP | 2.9691 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 67.15 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.2234 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
