RefChem:448680
TL;DR: RefChem:448680 (CAS 618879-94-0) is a chemical compound with molecular formula C19H18N4O4S and molecular weight 398.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, 2-{[4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ACETAMIDE, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-(5-(2-furyl)-4-prop-2-enyl(1,2,4-triaz ol-3-ylthio))acetamide
Technical Specifications
| Molecular Formula | C19H18N4O4S |
| Molecular Weight | 398.1049 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1049 Da |
| Heavy Atoms | 28 |
| Complexity | 554.0 |
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CO4 |
| InChIKey | SVTVCGUMXIRBHX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:448680
Property Insights of RefChem:448680
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:448680. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448680. Following Lipinski's Rule of Five, RefChem:448680 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:448680?
The CAS number of RefChem:448680 is 618879-94-0.
What is the molecular formula of RefChem:448680?
The molecular formula of RefChem:448680 is C19H18N4O4S.
What is the molecular weight of RefChem:448680?
The molecular weight of RefChem:448680 is 398.1049 g/mol.
Where can I buy RefChem:448680?
You can request a quote for RefChem:448680 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:448680?
Yes, CoreyChem provides custom synthesis services for RefChem:448680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.