MCULE-1048871754
- 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 | 36 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-1048871754.sdf |
SMILES | MCULE-1048871754.smiles |
Standard InChI | MCULE-1048871754.inchi |
InChIKey | MCULE-1048871754.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852081889 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
P-867418538 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-889911259 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-5513105 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-619930174 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-619862918 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-34454672 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-596592960 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-18877037 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885527744 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-22654350 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-855104 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.236 g |
P-464679564 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.236 g |
Property | Value |
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Components | 1 |
Mass | 330.803 |
logP | 4.8587 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 8 |
PSA | 35.53 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 93.2235 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 19 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |