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UNKNOWN STEREO
MCULE-3996317718
Compound
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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 | 6 USD | 97 | 20 working days | Get Quote |
| 5 mg | 6 USD | 97 | 20 working days | Get Quote |
| 10 mg | 6 USD | 97 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-3996317718.sdf |
| SMILES | MCULE-3996317718.smiles |
| Standard InChI | MCULE-3996317718.inchi |
| InChIKey | MCULE-3996317718.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585428 | 97 | As is | in stock |
| P-875743985 | N/A | As is | in stock |
| P-869186948 | 95 | As is | in stock |
| P-505353502 | 98 | As is | in stock |
| P-580238232 | 95 | As is | by synthesis |
| P-606841569 | N/A | As is | in stock |
| P-596954133 | 97 | As is | 21 kg |
| P-864184868 | 95 | As is | in stock |
| P-893223753 | 95 | As is | in stock |
| P-580426846 | 95 | As is | by resynthesis (? - ? days) |
| P-428631387 | 90 | As is | in stock |
| P-505506984 | 95 | As is | in stock |
| P-502967210 | 90 | As is | in stock |
| P-580005976 | 95 | As is | in stock |
| P-881159657 | 90 | As is | 226 mg |
| P-12468000 | 90 | As is | 156 mg |
| P-492277835 | 99 | As is | 156 mg |
| P-500395097 | 99 | As is | by synthesis |
| P-502349740 | 90 | As is | in stock |
| P-666971402 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 304.340 |
| logP | 3.0792 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 91.42 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 83.1992 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
