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UNKNOWN STEREO
MCULE-3588102951
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 | 14 USD | N/A | 14 working days | Get Quote |
| 5 mg | 14 USD | N/A | 14 working days | Get Quote |
| 10 mg | 14 USD | N/A | 14 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-3588102951.sdf |
| SMILES | MCULE-3588102951.smiles |
| Standard InChI | MCULE-3588102951.inchi |
| InChIKey | MCULE-3588102951.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-588246331 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-608441930 | Aldlab Chemicals | Building Block Stock | 95 | As is | 26.34 g |
| P-606945343 | AmBeed | In stock | N/A | As is | in stock |
| P-881654731 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864166081 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580414319 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-500386300 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis |
| P-873223697 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611414291 | Toronto Research | In stock | 90 | As is | in stock |
| P-886910109 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.198 |
| logP | 0.2617 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 92.42 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 43.2439 |
| Atoms | 26 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
