MCULE-4116100592
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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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 | 47 USD | 90 | 21 working days | Get Quote |
5 mg | 76 USD | 90 | 21 working days | Get Quote |
10 mg | 91 USD | 90 | 21 working days | Get Quote |
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MCULE-6171555839
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4116100592.sdf |
SMILES | MCULE-4116100592.smiles |
Standard InChI | MCULE-4116100592.inchi |
InChIKey | MCULE-4116100592.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893128365 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894670043 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-427951056 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-889350319 | FluoroChem | General BB | N/A | As is | in stock |
P-854885130 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492277661 | Otava | Chemical Building Blocks for Prompt Delivery | 97 | As is | 991 mg |
P-12465519 | Otava | In-House Stock Library | 90 | As is | 991 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 230.280 |
logP | 2.9439 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 24.92 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 66.0637 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 15 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 0 |
R/S chiral centers | 0 |
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 |