MCULE-4779170978-0
- 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 | 6 USD | 97 | 20 working days | Get Quote |
| 5 mg | 6 USD | 97 | 20 working days | Get Quote |
| 10 mg | 6 USD | 97 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4779170978-0.sdf |
| SMILES | MCULE-4779170978-0.smiles |
| Standard InChI | MCULE-4779170978-0.inchi |
| InChIKey | MCULE-4779170978-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-597028565 | 97 | As is | unavailable |
| P-1275194922 | 98 | As is | in stock |
| P-1275145082 | 95 | As is | in stock |
| P-905479675 | 97 | As is | 100 g |
| P-610954110 | 90 | As is | 10.1023 kg |
| P-901168104 | 98 | As is | in stock |
| P-617049258 | 95 | As is | by resynthesis (? - ? days) |
| P-606864314 | N/A | As is | in stock |
| P-596967706 | 97 | As is | 751 g |
| P-596970340 | 97 | As is | 75 g |
| P-494351418 | 95 | As is | 12.4 g |
| P-864103337 | 95 | As is | in stock |
| P-580717349 | 97 | As is | 511.25 g |
| P-893251936 | 95 | As is | by synthesis |
| P-505604489 | 97 | As is | by synthesis |
| P-851248442 | 95 | As is | by synthesis |
| P-861268483 | 95 | As is | in stock |
| P-868565876 | 97 | As is | in stock |
| P-580434274 | 95 | As is | by resynthesis (? - ? days) |
| P-901370675 | 97 | As is | 2.25 g |
| P-889434561 | 97 | As is | 5.24264 kg |
| P-905359206 | 97 | As is | 166 g |
| P-861985518 | 97 | As is | 50 g |
| P-500155270 | 96 | As is | in stock |
| P-454412105 | 95 | As is | 1.538 g |
| P-18811619 | 95 | As is | 1.538 g |
| P-579618624 | 95 | As is | in stock |
| P-580512375 | 95 | As is | in stock |
| P-1272573363 | 95 | As is | 200 g |
| P-852415680 | 95 | As is | by synthesis |
| P-854727970 | 95 | As is | in stock |
| P-888858446 | N/A | As is | in stock |
| P-500407142 | 95 | As is | by synthesis |
| P-885520059 | 95 | As is | by synthesis |
| P-579703393 | N/A | As is | in stock |
| P-498669940 | 97 | As is | 3.3101 kg |
| P-502397802 | 90 | As is | in stock |
| P-906907488 | 99 | As is | in stock |
| P-615648923 | 95 | As is | unavailable |
| P-575299730 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 197.032 |
| logP | 2.3254 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 28.68 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.7937 |
| Atoms | 15 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

