MCULE-4994489124
- 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 | 139 USD | 90 | 17 working days | Get Quote |
5 mg | 165 USD | 90 | 17 working days | Get Quote |
10 mg | 184 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-4994489124.sdf |
SMILES | MCULE-4994489124.smiles |
Standard InChI | MCULE-4994489124.inchi |
InChIKey | MCULE-4994489124.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886438473 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-14767072 | Life Chemicals | Screening Compounds | 90 | As is | 10 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 297.372 |
logP | 2.7215 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 80.85 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 76.8152 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 19 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |