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MCULE-3938002052
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 | 125 USD | 98 | 16 working days | Get Quote |
| 5 mg | 125 USD | 98 | 16 working days | Get Quote |
| 10 mg | 186 USD | 98 | 16 working days | Get Quote |
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MCULE-9895744195
- Component type: Main
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MCULE-5457149907
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3938002052.sdf |
| SMILES | MCULE-3938002052.smiles |
| Standard InChI | MCULE-3938002052.inchi |
| InChIKey | MCULE-3938002052.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1274435518 | 90 | As is | 9.121 g |
| P-900154791 | 95 | As is | in stock |
| P-900267339 | N/A | As is | by resynthesis (? - ? days) |
| P-1274453897 | 90 | As a main component | 1.346 g |
| P-474023737 | 95 | As a main component | in stock |
| P-878643281 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 3482.749 |
| logP | -0.4109 |
| H-bond acceptors | 92 |
| H-bond donors | 55 |
| Rotatable bonds | 143 |
| PSA | 1564.04 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 866.4128 |
| Atoms | 471 |
| Rings | 7 |
| Heavy atoms | 246 |
| Hydrogen atoms | 225 |
| Heteroatoms | 93 |
| N/O atoms | 92 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 31 |
| R/S chiral centers | 31 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 2 |
