MCULE-4823998554
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 20 USD | 95 | 8 working days | Get Quote |
| 10 mg | 20 USD | 95 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4823998554.sdf |
| SMILES | MCULE-4823998554.smiles |
| Standard InChI | MCULE-4823998554.inchi |
| InChIKey | MCULE-4823998554.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634665 | 95 | As is | in stock |
| P-875799408 | 95 | As is | in stock |
| P-1275165443 | 98 | As is | in stock |
| P-1275158118 | 95 | As is | in stock |
| P-903153620 | 95 | As is | 10 g |
| P-893575932 | 90 | As is | 1.7 g |
| P-1270303115 | 95 | As is | in stock |
| P-606922513 | N/A | As is | in stock |
| P-489230211 | 97 | As is | in stock |
| P-596989914 | 95 | As is | 1000 mg |
| P-1273265558 | 95 | As is | by resynthesis (? - ? days) |
| P-1273340415 | 95 | As is | by resynthesis (? - ? days) |
| P-864174686 | 95 | As is | in stock |
| P-872868181 | 99 | As is | in stock |
| P-617432501 | 95 | As is | 5 g |
| P-901455830 | 95 | As is | by synthesis |
| P-427951781 | 90 | As is | 5 mg |
| P-454720171 | 90 | As is | in stock |
| P-436464138 | 95 | As is | in stock |
| P-861452516 | 95 | As is | by synthesis |
| P-862067721 | 98 | As is | 3 g |
| P-13482231 | 92 | As is | 300 mg |
| P-1273110255 | 95 | As is | 100 mg |
| P-579626684 | 95 | As is | in stock |
| P-14179656 | 90 | As is | 55 mg |
| P-852434619 | N/A | As is | by synthesis |
| P-428074590 | 90 | As is | in stock |
| P-863737729 | 95 | As is | in stock |
| P-584623310 | 95 | As is | in stock |
| P-878647482 | 98 | As is | in stock |
| P-617685852 | 90 | As is | 260 mg |
| P-26369358 | 90 | As is | 260 mg |
| P-13723704 | 92 | As is | 300 mg |
| P-491071044 | 95 | As is | by synthesis |
| P-424798502 | 90 | As is | in stock |
| P-498641471 | 95 | As is | by synthesis |
| P-904256650 | 95 | As is | in stock |
| P-869128396 | 95 | As is | 250 mg |
| P-892291664 | 95 | As is | 250 mg |
| P-888641129 | 95 | As is | 250 mg |
| P-23300709 | 90 | As is | in stock |
| P-502386069 | 90 | As is | in stock |
| P-2463244 | 90 | As is | 183 mg |
| P-1271716197 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.268 |
| logP | 2.5318 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 66.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 71.6615 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

