MCULE-4289369522
- 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 | 43 USD | 95 | 7 working days | Get Quote |
| 5 mg | 68 USD | N/A | 22 working days | Get Quote |
| 10 mg | 88 USD | N/A | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4289369522.sdf |
| SMILES | MCULE-4289369522.smiles |
| Standard InChI | MCULE-4289369522.inchi |
| InChIKey | MCULE-4289369522.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616517 | N/A | As is | in stock |
| P-875777738 | 98 | As is | in stock |
| P-1264055123 | 99 | As is | in stock |
| P-1270336977 | 98 | As is | in stock |
| P-893290889 | N/A | As is | in stock |
| P-873293247 | 98 | As is | 100 mg |
| P-1273267553 | 95 | As is | by resynthesis (? - ? days) |
| P-905462499 | 95 | As is | in stock |
| P-893279163 | 98 | As is | 336 mg |
| P-851278741 | 95 | As is | by synthesis |
| P-860799412 | 98 | As is | in stock |
| P-887182695 | 95 | As is | by synthesis |
| P-868079382 | 95 | As is | in stock |
| P-873245420 | 97 | As is | 5 mg |
| P-854719617 | 95 | As is | in stock |
| P-872676992 | 95 | As is | in stock |
| P-589631491 | 98 | As is | in stock |
| P-579712560 | 98 | As is | in stock |
| P-892292266 | 95 | As is | unavailable |
| P-869135898 | 95 | As is | 100 mg |
| P-888644540 | 95 | As is | 100 mg |
| P-611416154 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 375.559 |
| logP | 3.2566 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 98.16 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 120.009 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 25 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |

