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MCULE-1184606965-0
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 | 35 USD | 98 | 15 working days | Get Quote |
| 5 mg | 52 USD | 98 | 16 working days | Get Quote |
| 10 mg | 103 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1184606965-0.sdf |
| SMILES | MCULE-1184606965-0.smiles |
| Standard InChI | MCULE-1184606965-0.inchi |
| InChIKey | MCULE-1184606965-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893584897 | 90 | As is | 203 mg |
| P-890240030 | 98 | As is | 212 mg |
| P-881631485 | 98 | As is | in stock |
| P-887323921 | 95 | As is | by synthesis |
| P-854721075 | 95 | As is | in stock |
| P-871068517 | 95 | As is | in stock |
| P-619674695 | 98 | As is | in stock |
| P-874642408 | 98 | As an isomer | by resynthesis (? - ? days) |
| P-1272347189 | 98 | As an isomer | in stock |
| P-500416257 | 98 | As an isomer | by synthesis |
| P-901560492 | 95 | As an isomer | by synthesis |
| P-855919767 | 97 | As an isomer | 10 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 794.663 |
| logP | 3.9908 |
| H-bond acceptors | 19 |
| H-bond donors | 0 |
| Rotatable bonds | 20 |
| PSA | 245.93 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 187.8725 |
| Atoms | 91 |
| Rings | 4 |
| Heavy atoms | 57 |
| Hydrogen atoms | 34 |
| Heteroatoms | 19 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
