3X-0279
TL;DR: 3X-0279 (CAS 865659-59-2) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 3X-0279, 5-(1,3-benzodioxol-5-ylmethylene)-3-(piperidinomethyl)-2-thioxotetrahydro-4H-imidazol-4-one, (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one, (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-3-[(piperidin-1-yl)methyl]-2-sulfanylideneimidazolidin-4-one, 5-(benzo[1,3]dioxol-5-ylmethylidene)-3-(1-piperidylmethyl)-2-sulfanylidene-imidazolidin-4-one
Technical Specifications
| Molecular Formula | C17H19N3O3S |
| Molecular Weight | 345.11472 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.11472 Da |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
| SMILES | C1CCN(CC1)CN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/NC2=S |
| InChIKey | NFOBDGGGKCOUEZ-MDWZMJQESA-N |
Chemical Property Profile of 3X-0279
Property Insights of 3X-0279
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3X-0279. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3X-0279. Following Lipinski's Rule of Five, 3X-0279 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3X-0279?
The CAS number of 3X-0279 is 865659-59-2.
What is the molecular formula of 3X-0279?
The molecular formula of 3X-0279 is C17H19N3O3S.
What is the molecular weight of 3X-0279?
The molecular weight of 3X-0279 is 345.11472 g/mol.
Where can I buy 3X-0279?
You can request a quote for 3X-0279 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3X-0279?
Yes, CoreyChem provides custom synthesis services for 3X-0279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.