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UNKNOWN STEREO
MCULE-4181372030
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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 22 working days | Get Quote |
| 10 mg | 13 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4181372030.sdf |
| SMILES | MCULE-4181372030.smiles |
| Standard InChI | MCULE-4181372030.inchi |
| InChIKey | MCULE-4181372030.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867568846 | 98 | As is | in stock |
| P-875729739 | 98 | As is | in stock |
| P-1275150883 | 95 | As is | in stock |
| P-1275180085 | 99 | As is | in stock |
| P-1275182158 | 98 | As is | in stock |
| P-1270403620 | 98 | As is | in stock |
| P-580247804 | 95 | As is | by synthesis |
| P-580247946 | 95 | As is | by synthesis |
| P-606881124 | N/A | As is | in stock |
| P-864085002 | 97 | As is | in stock |
| P-893229286 | 95 | As is | in stock |
| P-580452593 | 98 | As is | in stock |
| P-505494713 | 95 | As is | in stock |
| P-579704198 | N/A | As is | in stock |
| P-892225032 | 95 | As is | 775 mg |
| P-892289717 | 95 | As is | 687 mg |
| P-892318939 | 95 | As is | 687 mg |
| P-854960737 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 392.403 |
| logP | 2.3476 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 101.65 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 107.1108 |
| Atoms | 49 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
