MCULE-5695452020
- 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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 55 USD | 90 | 23 working days | Get Quote |
| 10 mg | 68 USD | 90 | 23 working days | Get Quote |
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MCULE-7407254409
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5695452020.sdf |
| SMILES | MCULE-5695452020.smiles |
| Standard InChI | MCULE-5695452020.inchi |
| InChIKey | MCULE-5695452020.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852178509 | 90 | As is | by synthesis |
| P-1268881407 | 90 | As is | by synthesis |
| P-890254202 | 97 | As is | by synthesis |
| P-894633732 | 95 | As is | by resynthesis (? - ? days) |
| P-489117768 | 97 | As is | in stock |
| P-454641482 | 90 | As is | in stock |
| P-448863618 | 90 | As is | 32.26 g |
| P-22425761 | 90 | As is | 32.26 g |
| P-578505116 | 90 | As is | in stock |
| P-851266017 | 95 | As is | by synthesis |
| P-855985312 | 95 | As is | 100 mg |
| P-31241638 | 90 | As is | 200 mg |
| P-852531364 | N/A | As is | by synthesis |
| P-904060600 | 95 | As is | by synthesis |
| P-896087959 | 80 | As is | 3 mg |
| P-873214076 | 90 | As is | in stock |
| P-33162155 | 90 | As is | 90 mg |
| P-906882018 | 95 | As is | by synthesis |
| P-611589468 | 90 | As is | in stock |
| P-886916810 | 97 | As is | by synthesis |
| P-886707597 | 95 | As a main component | in stock |
| P-890007567 | 95 | As a main component | by synthesis |
| P-869336431 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1264688257 | 95 | As a main component | 10 g |
| P-889826885 | 95 | As a main component | by synthesis |
| P-901445655 | 95 | As a main component | by synthesis |
| P-504739653 | 90 | As a main component | 5 mg |
| P-34742900 | 90 | As a main component | by synthesis |
| P-864499251 | 90 | As a main component | in stock |
| P-870580392 | 95 | As a main component | in stock |
| P-870569151 | 90 | As a main component | in stock |
| P-578135694 | 90 | As a main component | in stock |
| P-617984600 | 92 | As a main component | 92 mg |
| P-31234336 | 90 | As a main component | 200 mg |
| P-854857996 | 95 | As a main component | by synthesis |
| P-620237469 | 95 | As a main component | 46.88 g |
| P-34065427 | 90 | As a main component | 46.88 g |
| P-454363882 | 92 | As a main component | in stock |
| P-675080420 | 90 | As a main component | in stock |
| P-34185134 | 90 | As a main component | in stock |
| P-33162067 | 90 | As a main component | 136 mg |
| P-1272897304 | 94 | As a main component | by resynthesis (? - ? days) |
| P-611611296 | 90 | As a main component | in stock |
| P-893738065 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.242 |
| logP | 1.9363 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 41.49 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.1057 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

