MCULE-8177905443
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-8177905443.sdf |
SMILES | MCULE-8177905443.smiles |
Standard InChI | MCULE-8177905443.inchi |
InChIKey | MCULE-8177905443.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4166598 | ChemDiv | Discovery Chemistry Library | 90 | As is | 26 mg |
P-502601850 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12493991 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-18836849 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-2268331 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 104 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 468.559 |
logP | 4.7809 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 11 |
PSA | 70.08 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 134.3073 |
Atoms | 67 |
Rings | 3 |
Heavy atoms | 34 |
Hydrogen atoms | 33 |
Heteroatoms | 7 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |