MCULE-4521097453
- 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 | 69 USD | 95 | 10 working days | Get Quote |
5 mg | 85 USD | 95 | 10 working days | Get Quote |
10 mg | 117 USD | 95 | 10 working days | Get Quote |
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Name | File |
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SDF | MCULE-4521097453.sdf |
SMILES | MCULE-4521097453.smiles |
Standard InChI | MCULE-4521097453.inchi |
InChIKey | MCULE-4521097453.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852094790 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-615722361 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851724192 | AmBeed | On request | N/A | As is | by synthesis |
P-590930921 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-502504238 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454376053 | Key Organics | Building Blocks | 95 | As is | 31.673 g |
P-18676565 | Key Organics | Screening Compounds and Fragments | 95 | As is | 31.673 g |
P-852411855 | Matrix Scientific | All | N/A | As is | in stock |
P-864031859 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-855304373 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 291.752 |
logP | 3.1992 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 91.85 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 68.3475 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |