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MCULE-1964505455-0
Structure
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- InChI:
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| 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1964505455-0.sdf |
| SMILES | MCULE-1964505455-0.smiles |
| Standard InChI | MCULE-1964505455-0.inchi |
| InChIKey | MCULE-1964505455-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890124849 | N/A | As is | by synthesis |
| P-65445 | 90 | As is | 267 mg |
| P-886503226 | 95 | As an isomer | by synthesis |
| P-4859462 | 90 | As an isomer | 61 mg |
| P-34665058 | 90 | As an isomer | by synthesis |
| P-502728618 | 90 | As an isomer | in stock |
| P-24021398 | 90 | As an isomer | in stock |
| P-12432366 | 90 | As an isomer | 31 mg |
| P-33451199 | 90 | As an isomer | in stock |
| P-907292248 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-2339566 | 90 | As an isomer | 110 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 409.300 |
| logP | 5.8227 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 66.76 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 112.4767 |
| Atoms | 38 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 13 |
| 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 | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
