MCULE-3093539402
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3093539402.sdf |
| SMILES | MCULE-3093539402.smiles |
| Standard InChI | MCULE-3093539402.inchi |
| InChIKey | MCULE-3093539402.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867541605 | 97 | As is | in stock |
| P-875697682 | 98 | As is | in stock |
| P-1275180324 | 99 | As is | in stock |
| P-1275151145 | 98 | As is | in stock |
| P-1275184970 | 99 | As is | in stock |
| P-903020191 | 98 | As is | 598.5 g |
| P-1264059481 | 99 | As is | in stock |
| P-606866215 | N/A | As is | in stock |
| P-489141007 | 97 | As is | in stock |
| P-596938170 | 98 | As is | 1.1935 kg |
| P-494348215 | 95 | As is | 2.6601 kg |
| P-864188001 | 95 | As is | in stock |
| P-1263295346 | 95 | As is | 1.1 kg |
| P-893252683 | 95 | As is | by synthesis |
| P-874545497 | 90 | As is | 47 mg |
| P-868610708 | 95 | As is | in stock |
| P-861299639 | 90 | As is | by synthesis |
| P-580406601 | 95 | As is | by resynthesis (? - ? days) |
| P-896539723 | 97 | As is | 26.0715 kg |
| P-905328295 | 97 | As is | 31.9985 kg |
| P-608220150 | 98 | As is | in stock |
| P-865986099 | 90 | As is | 170 g |
| P-492243077 | 95 | As is | in stock |
| P-488550920 | 90 | As is | in stock |
| P-13857366 | 92 | As is | 300 mg |
| P-454416846 | 97 | As is | 280 mg |
| P-454351523 | 97 | As is | 280 mg |
| P-31250600 | 90 | As is | unavailable |
| P-856040409 | 90 | As is | unavailable |
| P-613283908 | 95 | As is | by synthesis |
| P-580511227 | 97 | As is | in stock |
| P-1272588085 | 95 | As is | 100 g |
| P-852465689 | 95 | As is | by synthesis |
| P-899992702 | 95 | As is | in stock |
| P-1263157305 | 95 | As is | by synthesis |
| P-620224170 | 95 | As is | 1000 mg |
| P-12681042 | 90 | As is | 1000 mg |
| P-454369181 | 92 | As is | in stock |
| P-23787323 | 92 | As is | 300 mg |
| P-885528574 | 95 | As is | by synthesis |
| P-579268512 | 90 | As is | in stock |
| P-865957693 | 97 | As is | 195.329 kg |
| P-502366827 | 90 | As is | in stock |
| P-1271642629 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 133.531 |
| logP | 0.2271 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.235 |
| Atoms | 12 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

