MCULE-4102196999
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 37 USD | 97 | 20 working days | Get Quote |
| 10 mg | 37 USD | 97 | 20 working days | Get Quote |
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-
1
MCULE-6685051637
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4102196999.sdf |
| SMILES | MCULE-4102196999.smiles |
| Standard InChI | MCULE-4102196999.inchi |
| InChIKey | MCULE-4102196999.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867540301 | 97 | As is | in stock |
| P-875696631 | 97 | As is | in stock |
| P-590366084 | 95 | As is | by resynthesis (? - ? days) |
| P-903018829 | 97 | As is | 2 g |
| P-1264049949 | 95 | As is | in stock |
| P-893523747 | 90 | As is | 13.649 g |
| P-1270378091 | 97 | As is | in stock |
| P-580247672 | 95 | As is | by synthesis |
| P-606916030 | N/A | As is | in stock |
| P-596937889 | 97 | As is | 500 mg |
| P-1273450874 | 95 | As is | by resynthesis (? - ? days) |
| P-864147935 | 99 | As is | in stock |
| P-900154396 | 98 | As is | in stock |
| P-893234974 | 95 | As is | in stock |
| P-452654240 | 98 | As is | in stock |
| P-861481415 | 95 | As is | by synthesis |
| P-862021805 | 97 | As is | 500 mg |
| P-596582231 | 95 | As is | 10 mg |
| P-1272586967 | 95 | As is | 1000 mg |
| P-852462695 | 95 | As is | by synthesis |
| P-854691590 | 95 | As is | in stock |
| P-896628617 | 95 | As is | by synthesis |
| P-584622754 | 95 | As is | in stock |
| P-608279073 | 98 | As is | in stock |
| P-617404682 | 98 | As is | in stock |
| P-869177911 | 95 | As is | in stock |
| P-892296371 | 95 | As is | unavailable |
| P-580051689 | 95 | As is | 44 mg |
| P-892338751 | 95 | As is | 44 mg |
| P-1271694004 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 383.822 |
| logP | 4.5186 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 40.8 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 108.563 |
| Atoms | 45 |
| Rings | 5 |
| Heavy atoms | 27 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

