MCULE-7897417838
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-7897417838.sdf |
| SMILES | MCULE-7897417838.smiles |
| Standard InChI | MCULE-7897417838.inchi |
| InChIKey | MCULE-7897417838.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867572926 | 98 | As is | in stock |
| P-875733677 | 98 | As is | in stock |
| P-1275155406 | 98 | As is | in stock |
| P-1275178330 | 99 | As is | in stock |
| P-903063495 | 98 | As is | 2 kg |
| P-905478932 | 98 | As is | 100 g |
| P-1270344142 | 98 | As is | in stock |
| P-580232950 | 95 | As is | by synthesis |
| P-580237771 | 95 | As is | by synthesis |
| P-606952161 | N/A | As is | in stock |
| P-596950259 | 98 | As is | 10 kg |
| P-895956497 | 95 | As is | 595 g |
| P-864141645 | 98 | As is | in stock |
| P-580725005 | 98 | As is | 725 g |
| P-893235223 | 95 | As is | in stock |
| P-851273901 | 95 | As is | by synthesis |
| P-868591480 | 98 | As is | in stock |
| P-580429415 | 95 | As is | by resynthesis (? - ? days) |
| P-905337751 | 98 | As is | 4.025 kg |
| P-896534103 | 98 | As is | 144.5 g |
| P-870655551 | N/A | As is | in stock |
| P-505515662 | 95 | As is | in stock |
| P-856039944 | 90 | As is | 10 g |
| P-31272952 | 90 | As is | 5 g |
| P-580512212 | 97 | As is | in stock |
| P-1272580547 | 95 | As is | 5 kg |
| P-852442921 | 95 | As is | by synthesis |
| P-500382716 | 98 | As is | by synthesis |
| P-889881088 | 95 | As is | by synthesis |
| P-502368606 | 90 | As is | in stock |
| P-906776283 | 98 | As is | by synthesis |
| P-480936025 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 146.227 |
| logP | 1.3116 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 40.46 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 42.8936 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

