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MCULE-5397400912
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 | 70 USD | 95 | 10 working days | Get Quote |
| 5 mg | 86 USD | 95 | 10 working days | Get Quote |
| 10 mg | 118 USD | 95 | 10 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5397400912.sdf |
| SMILES | MCULE-5397400912.smiles |
| Standard InChI | MCULE-5397400912.inchi |
| InChIKey | MCULE-5397400912.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852125340 | 90 | As is | by synthesis |
| P-867462334 | 95 | As is | by synthesis |
| P-890168528 | 90 | As is | in stock |
| P-890171977 | 95 | As is | in stock |
| P-904558142 | 95 | As is | by resynthesis (? - ? days) |
| P-851539773 | N/A | As is | by synthesis |
| P-851659555 | N/A | As is | by synthesis |
| P-611130719 | 90 | As is | by synthesis |
| P-590883867 | 95 | As is | by synthesis |
| P-454380942 | 90 | As is | 3.285 g |
| P-454390697 | 95 | As is | 29.066 g |
| P-18797719 | 95 | As is | 29.066 g |
| P-18797980 | 90 | As is | 3.285 g |
| P-852413375 | 95 | As is | by synthesis |
| P-869041435 | 95 | As is | by synthesis |
| P-855238338 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.389 |
| logP | 4.0567 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 57.78 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 94.1344 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 23 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
