MCULE-4314907971
- 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 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4314907971.sdf |
| SMILES | MCULE-4314907971.smiles |
| Standard InChI | MCULE-4314907971.inchi |
| InChIKey | MCULE-4314907971.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559509 | 97 | As is | in stock |
| P-875719585 | 97 | As is | in stock |
| P-597026198 | 97 | As is | unavailable |
| P-903048442 | 98 | As is | 300 g |
| P-1266979248 | 98 | As is | by synthesis |
| P-610961750 | 90 | As is | 3.50345 kg |
| P-1270317981 | 98 | As is | in stock |
| P-580256662 | 95 | As is | by synthesis |
| P-606882752 | N/A | As is | in stock |
| P-596927580 | 97 | As is | 200 g |
| P-866729709 | 95 | As is | 15 g |
| P-864111118 | 97 | As is | in stock |
| P-580729158 | 98 | As is | 171 g |
| P-851253371 | 95 | As is | by synthesis |
| P-861275289 | 95 | As is | in stock |
| P-868588116 | 95 | As is | in stock |
| P-580424612 | 95 | As is | by resynthesis (? - ? days) |
| P-862011658 | 97 | As is | 390 g |
| P-905341042 | 97 | As is | 11 g |
| P-888312396 | N/A | As is | in stock |
| P-675217384 | 95 | As is | in stock |
| P-500154600 | 96 | As is | in stock |
| P-454396137 | 97 | As is | 1000 mg |
| P-855998308 | 97 | As is | 100 mg |
| P-579620304 | 95 | As is | in stock |
| P-1272585602 | 95 | As is | 100 g |
| P-852459670 | 95 | As is | by synthesis |
| P-854733861 | 95 | As is | in stock |
| P-888861510 | N/A | As is | in stock |
| P-596756089 | 97 | As is | 544.8 g |
| P-906781988 | 97 | As is | by synthesis |
| P-611346411 | 90 | As is | in stock |
| P-854645477 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.080 |
| logP | 2.7281 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 18.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.346 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 19 |
| 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 |

