MCULE-1611419713
- 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 | 51 USD | 95 | 9 working days | Get Quote |
5 mg | 76 USD | 95 | 15 working days | Get Quote |
10 mg | 121 USD | 95 | 15 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-1611419713.sdf |
SMILES | MCULE-1611419713.smiles |
Standard InChI | MCULE-1611419713.inchi |
InChIKey | MCULE-1611419713.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893290692 | AmBeed | On request | N/A | As is | by synthesis |
P-889568476 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-893230072 | Biosynth | In Stock | 95 | As is | in stock |
P-868079453 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-525185032 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892297955 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-892345751 | TargetMol | Screening Compounds - stock amount | 95 | As is | 971 mg |
P-666968789 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 458.543 |
logP | 3.9154 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 11 |
PSA | 97.89 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 124.7718 |
Atoms | 67 |
Rings | 3 |
Heavy atoms | 33 |
Hydrogen atoms | 34 |
Heteroatoms | 7 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 6 |
R/S chiral centers | 6 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 4 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 4 |
Undefined stereo double bonds | 0 |