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UNKNOWN STEREO
MCULE-5029290493
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-8177480737
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5029290493.sdf |
| SMILES | MCULE-5029290493.smiles |
| Standard InChI | MCULE-5029290493.inchi |
| InChIKey | MCULE-5029290493.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611463854 | Toronto Research | In stock | 90 | As is | in stock |
| P-886972742 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867311066 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-3227636 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 4.407 g |
| P-1777942 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 4.407 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 342.685 |
| logP | 6.3725 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 12.03 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 92.9547 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
