MCULE-1307982487-0
- 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.
|
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.
|
|
|---|---|---|---|---|
| 1 mg | 13 USD | 98 | 9 working days | Get Quote |
| 5 mg | 13 USD | 98 | 9 working days | Get Quote |
| 10 mg | 13 USD | 98 | 9 working days | Get Quote |
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MCULE-3077351693-0
- Component type: Main
-
MCULE-8625441795-0
- Component type: Main
-
MCULE-9389987492-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1307982487-0.sdf |
| SMILES | MCULE-1307982487-0.smiles |
| Standard InChI | MCULE-1307982487-0.inchi |
| InChIKey | MCULE-1307982487-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537349 | 95 | As is | in stock |
| P-875692765 | 95 | As is | in stock |
| P-1275201231 | 98 | As is | in stock |
| P-1275147641 | 95 | As is | in stock |
| P-494327948 | 95 | As is | by resynthesis (? - ? days) |
| P-889476384 | 95 | As is | by synthesis |
| P-893258718 | 95 | As is | by synthesis |
| P-868598367 | 98 | As is | in stock |
| P-580443078 | 95 | As is | by resynthesis (? - ? days) |
| P-855918861 | 97 | As is | 1000 mg |
| P-596562494 | 97 | As is | 25 g |
| P-613276718 | 95 | As is | by synthesis |
| P-580503270 | N/A | As is | by synthesis |
| P-852521798 | 95 | As is | by synthesis |
| P-854718947 | 95 | As is | in stock |
| P-904369578 | 95 | As is | in stock |
| P-608270711 | 98 | As is | in stock |
| P-579711872 | 98 | As is | in stock |
| P-904243774 | 95 | As is | unavailable |
| P-464622772 | 95 | As is | 21.678 g |
| P-888626834 | 95 | As is | 42.626 g |
| P-906865706 | 99 | As is | by synthesis |
| P-854989062 | 90 | As is | in stock |
| P-855011575 | 90 | As is | in stock |
| P-1268857756 | N/A | As a main component | by synthesis |
| P-489226106 | 97 | As a main component | in stock |
| P-1267008219 | 95 | As a main component | by synthesis |
| P-895532745 | 95 | As a main component | by synthesis |
| P-855243733 | 90 | As a main component | in stock |
| P-667005954 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 115.217 |
| logP | 2.6142 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 38.4704 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 17 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

