MCULE-3249523070
- 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.
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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.
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1 mg | 279 USD | 95 | 11 working days | Get Quote |
5 mg | 672 USD | 95 | 11 working days | Get Quote |
10 mg | 956 USD | 95 | 11 working days | Get Quote |
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MCULE-4126509532
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3249523070.sdf |
SMILES | MCULE-3249523070.smiles |
Standard InChI | MCULE-3249523070.inchi |
InChIKey | MCULE-3249523070.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867612133 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875772012 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-596985045 | Angene | Building Blocks in stock | 97 | As is | 17 mg |
P-888664154 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869173020 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 3125.586 |
logP | 1.1156 |
H-bond acceptors | 82 |
H-bond donors | 47 |
Rotatable bonds | 133 |
PSA | 1339.16 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 796.4937 |
Atoms | 451 |
Rings | 4 |
Heavy atoms | 221 |
Hydrogen atoms | 230 |
Heteroatoms | 82 |
N/O atoms | 82 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 28 |
R/S chiral centers | 28 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 2 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 2 |