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MCULE-3449803623-0
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 | 32 USD | 95 | 7 working days | Get Quote |
| 5 mg | 32 USD | 95 | 7 working days | Get Quote |
| 10 mg | 48 USD | 95 | 7 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3449803623-0.sdf |
| SMILES | MCULE-3449803623-0.smiles |
| Standard InChI | MCULE-3449803623-0.inchi |
| InChIKey | MCULE-3449803623-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885963940 | 95 | As an isomer | by synthesis |
| P-893511350 | 90 | As an isomer | 18.818 g |
| P-1270324548 | 98 | As an isomer | in stock |
| P-870136471 | N/A | As an isomer | in stock |
| P-851731740 | N/A | As an isomer | by synthesis |
| P-1273363306 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-889563066 | 95 | As an isomer | in stock |
| P-580300692 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-632057752 | 90 | As an isomer | by synthesis |
| P-901176901 | 90 | As an isomer | 50 mg |
| P-892254293 | 95 | As an isomer | unavailable |
| P-892295983 | 95 | As an isomer | unavailable |
| P-892339060 | 95 | As an isomer | unavailable |
| P-594274477 | 95 | As an isomer | 192 mg |
| P-906866131 | 98 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.079 |
| logP | 3.0013 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 74.26 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.0198 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
