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MCULE-2140948986-0
Structure
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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 | 112 USD | 90 | 10 working days | Get Quote |
| 5 mg | 112 USD | 90 | 10 working days | Get Quote |
| 10 mg | 112 USD | 90 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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2
MCULE-9094179165-0
- Component type: Main
-
1
MCULE-1504889908-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2140948986-0.sdf |
| SMILES | MCULE-2140948986-0.smiles |
| Standard InChI | MCULE-2140948986-0.inchi |
| InChIKey | MCULE-2140948986-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-31179540 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-856045369 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-31164913 | LaboTest | Screening Collection | 90 | Main component as a main component | 1000 mg |
| P-856044326 | LaboTest | Building Blocks | 90 | Main component as a main component | 1000 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 676.818 |
| logP | 3.9088 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 190.58 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 181.4598 |
| Atoms | 95 |
| Rings | 6 |
| Heavy atoms | 47 |
| Hydrogen atoms | 48 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
