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MCULE-1835652739-0
Structure
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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 | 47 USD | 98 | 16 working days | Get Quote |
| 5 mg | 47 USD | 98 | 16 working days | Get Quote |
| 10 mg | 79 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1835652739-0.sdf |
| SMILES | MCULE-1835652739-0.smiles |
| Standard InChI | MCULE-1835652739-0.inchi |
| InChIKey | MCULE-1835652739-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903344102 | N/A | As is | 10 mg |
| P-1264054552 | 99 | As is | in stock |
| P-893528716 | 90 | As is | 15.227 g |
| P-590866258 | 95 | As is | by synthesis |
| P-871216288 | 95 | As is | by synthesis |
| P-887183915 | 95 | As is | by synthesis |
| P-868659191 | 95 | As is | in stock |
| P-854715497 | 95 | As is | in stock |
| P-584624934 | 95 | As is | in stock |
| P-878644523 | 98 | As is | in stock |
| P-869248295 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864161344 | 95 | As an isomer | in stock |
| P-861286577 | 98 | As an isomer | in stock |
| P-873246302 | 97 | As an isomer | 5 mg |
| P-872702165 | 95 | As an isomer | by synthesis |
| P-1271505982 | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 401.452 |
| logP | 3.3906 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 86.99 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 110.1223 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
