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MCULE-4054125595-0
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 | 55 USD | 99 | 15 working days | Get Quote |
| 5 mg | 138 USD | 99 | 15 working days | Get Quote |
| 10 mg | 169 USD | 98 | 11 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4054125595-0.sdf |
| SMILES | MCULE-4054125595-0.smiles |
| Standard InChI | MCULE-4054125595-0.inchi |
| InChIKey | MCULE-4054125595-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893584642 | 90 | As is | 116 mg |
| P-675189418 | 70 | As is | 2 mg |
| P-893297476 | 98 | As is | by synthesis |
| P-901924615 | 99 | As is | 30 mg |
| P-900267682 | N/A | As is | by resynthesis (? - ? days) |
| P-452653918 | 98 | As is | in stock |
| P-893628915 | 95 | As is | by synthesis |
| P-1273138199 | 99 | As is | 50 mg |
| P-863740253 | 95 | As is | in stock |
| P-855917160 | 97 | As an isomer | 5 mg |
| P-873242959 | 97 | As an isomer | 5 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.268 |
| logP | 1.8405 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 1 |
| PSA | 90.15 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 72.3108 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
