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MCULE-3977972249
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 | 93 USD | 98 | 20 working days | Get Quote |
| 5 mg | 93 USD | 98 | 20 working days | Get Quote |
| 10 mg | 93 USD | 98 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3977972249.sdf |
| SMILES | MCULE-3977972249.smiles |
| Standard InChI | MCULE-3977972249.inchi |
| InChIKey | MCULE-3977972249.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867306020 | 98 | As is | by synthesis |
| P-889927911 | 98 | As is | by synthesis |
| P-894646701 | 95 | As is | by resynthesis (? - ? days) |
| P-903151652 | 98 | As is | 4 g |
| P-907315571 | 95 | As is | by synthesis |
| P-865920285 | 98 | As is | 4 g |
| P-864191424 | 95 | As is | in stock |
| P-890234854 | 98 | As is | by synthesis |
| P-862146412 | 98 | As is | 4 g |
| P-855926863 | 97 | As is | 50 mg |
| P-869376940 | 95 | As is | by synthesis |
| P-854760209 | 95 | As is | by synthesis |
| P-872751996 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 247.675 |
| logP | 3.3709 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.6892 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
