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MCULE-4479073689
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 | 88 USD | 97 | 13 working days | Get Quote |
| 5 mg | 88 USD | 97 | 13 working days | Get Quote |
| 10 mg | 88 USD | 97 | 13 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4479073689.sdf |
| SMILES | MCULE-4479073689.smiles |
| Standard InChI | MCULE-4479073689.inchi |
| InChIKey | MCULE-4479073689.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886541152 | 98 | As is | in stock |
| P-890143011 | 98 | As is | in stock |
| P-904321271 | 90 | As is | 162 mg |
| P-895094435 | 98 | As is | 60 mg |
| P-860056390 | 97 | As is | by synthesis |
| P-590883323 | 95 | As is | by synthesis |
| P-851299507 | 95 | As is | by synthesis |
| P-905147457 | 95 | As is | by synthesis |
| P-874452589 | 95 | As is | in stock |
| P-904257914 | 95 | As is | in stock |
| P-904251241 | 95 | As is | unavailable |
| P-892254840 | 95 | As is | 2 mg |
| P-892339401 | 95 | As is | 2 mg |
| P-886926424 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 302.364 |
| logP | 3.5664 |
| H-bond acceptors | 4 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 80.92 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 88.022 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
