1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone (CAS 883794-86-3) is a chemical compound with molecular formula C16H13ClFNO3 and molecular weight 321.0568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)propan-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone, 1-(2H-1,3-benzodioxol-5-yl)-3-[(3-chloro-4-fluorophenyl)amino]propan-1-one, 1-(1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)propan-1-one, 1-(1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoro-anilino)propan-1-one, 1-benzo[1,3]dioxol-5-yl-3-[(3-chloro-4-fluoro-phenyl)amino]propan-1-one
Technical Specifications
| Molecular Formula | C16H13ClFNO3 |
| Molecular Weight | 321.0568 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0568 Da |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CCNC3=CC(=C(C=C3)F)Cl |
| InChIKey | XFXYDBIWSQVWIH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone
The XLogP value of 4.3 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone 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 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone is 883794-86-3.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone is C16H13ClFNO3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone is 321.0568 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone?
Yes, CoreyChem provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.