MCULE-1444869108
- 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 | 69 USD | 90 | 10 working days | Get Quote |
5 mg | 86 USD | 90 | 10 working days | Get Quote |
10 mg | 117 USD | 90 | 10 working days | Get Quote |
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MCULE-4652528504
- Component type: Main
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MCULE-9112447735
- Component type: Main
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MCULE-9195446156
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1444869108.sdf |
SMILES | MCULE-1444869108.smiles |
Standard InChI | MCULE-1444869108.inchi |
InChIKey | MCULE-1444869108.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851767193 | AmBeed | On request | N/A | As a main component | by synthesis |
P-611134576 | BLD pharm | Non-stock building blocks | 90 | As a main component | by synthesis |
P-6355476 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | in stock |
P-675521196 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-856008514 | Key Organics | Screening Compounds and Fragments | 90 | As a main component | 157 mg |
P-869053943 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 234.119 |
logP | 2.9338 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 12.47 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 60.271 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 13 |
Heteroatoms | 4 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |