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MCULE-4978698427
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 | 13 USD | 95 | 20 working days | Get Quote |
| 5 mg | 20 USD | 98 | 16 working days | Get Quote |
| 10 mg | 30 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4978698427.sdf |
| SMILES | MCULE-4978698427.smiles |
| Standard InChI | MCULE-4978698427.inchi |
| InChIKey | MCULE-4978698427.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875698149 | 95 | As is | in stock |
| P-1264053996 | 100 | As is | in stock |
| P-875895252 | 95 | As is | in stock |
| P-1275108490 | N/A | As is | by resynthesis (? - ? days) |
| P-579722237 | 95 | As is | 290 mg |
| P-861492412 | 95 | As is | by synthesis |
| P-854622151 | 98 | As is | in stock |
| P-854721717 | 95 | As is | in stock |
| P-871071122 | 95 | As is | in stock |
| P-878641211 | 98 | As is | in stock |
| P-906906788 | 98 | As is | in stock |
| P-867541451 | 95 | As an isomer | in stock |
| P-874610178 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-610993997 | 90 | As an isomer | 1.845 g |
| P-1270309494 | 95 | As an isomer | in stock |
| P-606851694 | N/A | As an isomer | in stock |
| P-596938332 | 95 | As an isomer | 1.25 g |
| P-1273453422 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864106680 | 95 | As an isomer | in stock |
| P-563383560 | 95 | As an isomer | 250 mg |
| P-873389111 | N/A | As an isomer | by synthesis |
| P-579713108 | 98 | As an isomer | in stock |
| P-892295023 | 95 | As an isomer | unavailable |
| P-869161016 | 95 | As an isomer | 123 mg |
| P-888656248 | 95 | As an isomer | 123 mg |
| P-855066303 | 90 | As an isomer | in stock |
| P-575296651 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.213 |
| logP | 1.9905 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 70.25 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.3624 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
