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MCULE-2962973679
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 | 702 USD | 95 | 10 working days | Get Quote |
| 5 mg | 702 USD | 95 | 10 working days | Get Quote |
| 10 mg | 702 USD | 95 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-2962973679.sdf |
| SMILES | MCULE-2962973679.smiles |
| Standard InChI | MCULE-2962973679.inchi |
| InChIKey | MCULE-2962973679.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590761234 | 99 | As is | by synthesis |
| P-895199325 | 95 | As is | by synthesis |
| P-872675984 | 95 | As is | in stock |
| P-852189318 | N/A | As an isomer | by synthesis |
| P-851471122 | N/A | As an isomer | by synthesis |
| P-872726366 | 98 | As an isomer | in stock |
| P-889841144 | 95 | As an isomer | by synthesis |
| P-869128092 | 95 | As an isomer | by synthesis |
| P-888640932 | 95 | As an isomer | unavailable |
| P-855052853 | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 420.531 |
| logP | 6.9159 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 46.53 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 120.9468 |
| Atoms | 64 |
| Rings | 1 |
| Heavy atoms | 30 |
| Hydrogen atoms | 34 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 3 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
