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UNKNOWN STEREO
MCULE-4005429744
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 | 5 USD | 95 | 22 working days | Get Quote |
| 5 mg | 5 USD | 95 | 22 working days | Get Quote |
| 10 mg | 5 USD | 95 | 22 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-4005429744.sdf |
| SMILES | MCULE-4005429744.smiles |
| Standard InChI | MCULE-4005429744.inchi |
| InChIKey | MCULE-4005429744.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867660524 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875829216 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-588245158 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580234674 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606940746 | AmBeed | In stock | N/A | As is | in stock |
| P-596972367 | Angene | Building Blocks in stock | 95 | As is | 1000 g |
| P-675219709 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-892236604 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869176212 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892292667 | TargetMol | In Stock BB | 95 | As is | 1.074 g |
| P-892327149 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.074 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.252 |
| logP | 2.5099 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 86.99 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.5705 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| 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 |
