MCULE-2004002387
- 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 | 85 USD | 90 | 10 working days | Get Quote |
10 mg | 117 USD | 90 | 10 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-2004002387.sdf |
SMILES | MCULE-2004002387.smiles |
Standard InChI | MCULE-2004002387.inchi |
InChIKey | MCULE-2004002387.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851540970 | AmBeed | On request | N/A | As is | by synthesis |
P-590922736 | BLD pharm | Non-stock building blocks | 90 | As is | by synthesis |
P-18781338 | Key Organics | Screening Compounds and Fragments | 90 | As is | 1.286 g |
P-869054739 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 331.406 |
logP | 5.5341 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 29.54 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 101.6875 |
Atoms | 46 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 21 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |