MCULE-3793006582-0
- 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 | 26 USD | 98 | 16 working days | Get Quote |
| 5 mg | 41 USD | N/A | 22 working days | Get Quote |
| 10 mg | 41 USD | N/A | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3793006582-0.sdf |
| SMILES | MCULE-3793006582-0.smiles |
| Standard InChI | MCULE-3793006582-0.inchi |
| InChIKey | MCULE-3793006582-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612051 | N/A | As is | in stock |
| P-875772167 | 99 | As is | in stock |
| P-869314043 | 95 | As is | by resynthesis (? - ? days) |
| P-872725993 | 98 | As is | in stock |
| P-1264048887 | 98 | As is | in stock |
| P-1270395168 | 99 | As is | in stock |
| P-606869710 | N/A | As is | in stock |
| P-489220057 | 97 | As is | in stock |
| P-596962873 | 99 | As is | 2 g |
| P-1273265201 | 95 | As is | by resynthesis (? - ? days) |
| P-1273282956 | 95 | As is | by resynthesis (? - ? days) |
| P-864148956 | 95 | As is | in stock |
| P-860056350 | 98 | As is | by synthesis |
| P-580715532 | 99 | As is | 1.029 g |
| P-860799590 | 98 | As is | in stock |
| P-861365733 | 95 | As is | by synthesis |
| P-675215366 | 95 | As is | in stock |
| P-596583881 | 97 | As is | 5 mg |
| P-854721183 | 95 | As is | in stock |
| P-1263156182 | 95 | As is | by synthesis |
| P-878641154 | 98 | As is | in stock |
| P-885541317 | 95 | As is | by synthesis |
| P-579713016 | 98 | As is | in stock |
| P-892298005 | 95 | As is | unavailable |
| P-869162552 | 95 | As is | 193 mg |
| P-888657912 | 95 | As is | 193 mg |
| P-906782240 | 98 | As is | by synthesis |
| P-611416133 | 90 | As is | in stock |
| P-1271682886 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 472.082 |
| logP | 8.0103 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 67.53 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 139.1628 |
| Atoms | 66 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 34 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

