MCULE-6748405451
- 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 | 537 USD | N/A | 27 working days | Get Quote |
5 mg | 537 USD | N/A | 27 working days | Get Quote |
10 mg | 537 USD | N/A | 27 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-6748405451.sdf |
SMILES | MCULE-6748405451.smiles |
Standard InChI | MCULE-6748405451.inchi |
InChIKey | MCULE-6748405451.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852109135 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-889936750 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-851240140 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861276929 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
P-852519764 | Matrix Scientific | All | N/A | As is | in stock |
P-611417531 | Toronto Research | In stock | 90 | As is | in stock |
P-855020056 | Toronto Research | In stock | 90 | As is | in stock |
P-893783500 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 473.561 |
logP | 2.0328 |
H-bond acceptors | 9 |
H-bond donors | 4 |
Rotatable bonds | 15 |
PSA | 148.34 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 127.9834 |
Atoms | 69 |
Rings | 2 |
Heavy atoms | 34 |
Hydrogen atoms | 35 |
Heteroatoms | 9 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |