MCULE-1684552169
- 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 | 95 USD | 95 | 11 working days | Get Quote |
5 mg | 202 USD | 99 | 16 working days | Get Quote |
10 mg | 316 USD | 99 | 16 working days | Get Quote |
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MCULE-3043933628
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1684552169.sdf |
SMILES | MCULE-1684552169.smiles |
Standard InChI | MCULE-1684552169.inchi |
InChIKey | MCULE-1684552169.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889520365 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-888664110 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869172896 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-611355071 | Toronto Research | In stock | 90 | As is | in stock |
P-886768605 | A2B Chem | Predominantly Building Block in stock | 99 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 1133.323 |
logP | 1.0531 |
H-bond acceptors | 28 |
H-bond donors | 16 |
Rotatable bonds | 46 |
PSA | 488.77 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 287.3446 |
Atoms | 159 |
Rings | 2 |
Heavy atoms | 79 |
Hydrogen atoms | 80 |
Heteroatoms | 29 |
N/O atoms | 28 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 10 |
R/S chiral centers | 10 |
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 |