MCULE-2140948986-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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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 | 109 USD | 90 | 20 working days | Get Quote |
5 mg | 109 USD | 90 | 20 working days | Get Quote |
10 mg | 109 USD | 90 | 20 working days | Get Quote |
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2
MCULE-9094179165-0
- Component type: Main
-
1
MCULE-1504889908-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2140948986-0.sdf |
SMILES | MCULE-2140948986-0.smiles |
Standard InChI | MCULE-2140948986-0.inchi |
InChIKey | MCULE-2140948986-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-31179540 | LaboTest | Screening Collection | 90 | As is | 2 g |
P-856045369 | LaboTest | Building Blocks | 90 | As is | 2 g |
P-867409071 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-31164913 | LaboTest | Screening Collection | 90 | Main component as a main component | 1000 mg |
P-856044326 | LaboTest | Building Blocks | 90 | Main component as a main component | 1000 mg |
Property | Value |
---|---|
Components | 3 |
Mass | 676.818 |
logP | 3.9088 |
H-bond acceptors | 12 |
H-bond donors | 4 |
Rotatable bonds | 10 |
PSA | 190.58 |
RO5 violations | 2 |
RO3 violations | 6 |
Refractivity | 181.4598 |
Atoms | 95 |
Rings | 6 |
Heavy atoms | 47 |
Hydrogen atoms | 48 |
Heteroatoms | 13 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |