MCULE-3952029655
- 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 | 69 USD | 90 | 10 working days | Get Quote |
5 mg | 85 USD | 90 | 10 working days | Get Quote |
10 mg | 117 USD | 90 | 10 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-3952029655.sdf |
SMILES | MCULE-3952029655.smiles |
Standard InChI | MCULE-3952029655.inchi |
InChIKey | MCULE-3952029655.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852131239 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
P-890173593 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894644623 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851687823 | AmBeed | On request | N/A | As is | by synthesis |
P-611179156 | BLD pharm | Non-stock building blocks | 90 | As is | by synthesis |
P-5845436 | ChemDiv | Discovery Chemistry Library | 90 | As is | 58 mg |
P-889410106 | FluoroChem | General BB | N/A | As is | in stock |
P-454400005 | Key Organics | Building Blocks | 90 | As is | 1.873 g |
P-18754229 | Key Organics | Screening Compounds and Fragments | 90 | As is | 1.873 g |
P-864060004 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 259.260 |
logP | 3.2067 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 79.97 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 73.3437 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 13 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |