MCULE-8161034868
- 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 | 9 USD | 98 | 14 working days | Get Quote |
| 5 mg | 9 USD | 98 | 14 working days | Get Quote |
| 10 mg | 9 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8161034868.sdf |
| SMILES | MCULE-8161034868.smiles |
| Standard InChI | MCULE-8161034868.inchi |
| InChIKey | MCULE-8161034868.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867584955 | 98 | As is | in stock |
| P-875742612 | 98 | As is | in stock |
| P-1275192713 | 98 | As is | in stock |
| P-903073226 | 98 | As is | 400 g |
| P-905476921 | 97 | As is | 100 g |
| P-893512428 | 90 | As is | 244 g |
| P-1270311977 | 98 | As is | in stock |
| P-606865477 | N/A | As is | in stock |
| P-489131027 | 97 | As is | in stock |
| P-596953642 | 98 | As is | 100 g |
| P-494321812 | 95 | As is | 64.989 g |
| P-864111167 | 97 | As is | in stock |
| P-580720824 | 98 | As is | 52.3 g |
| P-851240431 | 95 | As is | by synthesis |
| P-861276372 | 95 | As is | in stock |
| P-868643101 | 98 | As is | in stock |
| P-889110596 | 98 | As is | 1.53938 kg |
| P-505549614 | 95 | As is | in stock |
| P-454389667 | 95 | As is | 38.372 g |
| P-18816226 | 95 | As is | 38.372 g |
| P-579637589 | 95 | As is | by resynthesis (? - ? days) |
| P-868153996 | N/A | As is | by synthesis |
| P-1272563097 | N/A | As is | 100 g |
| P-852379435 | N/A | As is | by synthesis |
| P-854797791 | 95 | As is | by synthesis |
| P-500396342 | 99 | As is | by synthesis |
| P-889878834 | 95 | As is | by synthesis |
| P-596790801 | 98 | As is | 60 g |
| P-502396648 | 90 | As is | in stock |
| P-611496128 | 90 | As is | in stock |
| P-1271720657 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 190.122 |
| logP | 1.8996 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 55.98 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.3339 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 5 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |

