MCULE-4340616221-0
- 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 | 17 USD | 99 | 22 working days | Get Quote |
| 5 mg | 30 USD | 99 | 20 working days | Get Quote |
| 10 mg | 48 USD | 99 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4340616221-0.sdf |
| SMILES | MCULE-4340616221-0.smiles |
| Standard InChI | MCULE-4340616221-0.inchi |
| InChIKey | MCULE-4340616221-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648821 | 99 | As is | in stock |
| P-875816768 | 99 | As is | in stock |
| P-590360766 | 98 | As is | by resynthesis (? - ? days) |
| P-505394129 | 95 | As is | by resynthesis (? - ? days) |
| P-580193824 | 98 | As is | in stock |
| P-1264048691 | 95 | As is | in stock |
| P-893608037 | 90 | As is | 23.191 g |
| P-1270324075 | 99 | As is | in stock |
| P-606942718 | N/A | As is | in stock |
| P-489203543 | 97 | As is | in stock |
| P-596970603 | 99 | As is | 500 mg |
| P-1273254969 | 95 | As is | by resynthesis (? - ? days) |
| P-889550401 | 95 | As is | in stock |
| P-580720333 | 99 | As is | 27 mg |
| P-901464186 | 95 | As is | by synthesis |
| P-851242993 | 95 | As is | by synthesis |
| P-860797830 | 98 | As is | in stock |
| P-861371671 | 95 | As is | by synthesis |
| P-675216988 | 95 | As is | in stock |
| P-524166401 | 95 | As is | 1 mg |
| P-1272597126 | 95 | As is | 50 mg |
| P-852521021 | 95 | As is | by synthesis |
| P-854715105 | 95 | As is | in stock |
| P-474027061 | 95 | As is | in stock |
| P-888171608 | 98 | As is | by synthesis |
| P-579711245 | 98 | As is | in stock |
| P-892296631 | 95 | As is | unavailable |
| P-869161822 | 95 | As is | 100 mg |
| P-888657208 | 95 | As is | 100 mg |
| P-855323906 | 90 | As is | in stock |
| P-480558925 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 547.954 |
| logP | 6.3805 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 101.3 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 137.9052 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 25 |
| Heteroatoms | 12 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

