2-bromo-1-(2-furyl)-1-ethanone
TL;DR: 2-bromo-1-(2-furyl)-1-ethanone (CAS 151092-59-0) is a chemical compound with molecular formula C16H20ClN5O4 and molecular weight 381.1204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one;hydrochloride
Also Known As: 2-bromo-1-(2-furyl)-1-ethanone, 1,2,4-Triazin-6(1H)-one, 2,5-dihydro-3-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(4-nitrophenyl)ethyl)-4-pyridinyl)-, hydrochloride, 3-[1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one;hydrochloride, 1,2,4-Triazin-6 -one,2,5-dihydro-3-(1,2,3,6-tetrahydro-1-(2-hydroxy-2- -,hydrochloride, 3-[1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-2,5-dihydro-1H-1,2,4-triazin-6-one hydrochloride
Technical Specifications
| Molecular Formula | C16H20ClN5O4 |
| Molecular Weight | 381.1204 g/mol |
| XLogP | 0.715 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.1204 Da |
| Heavy Atoms | 26 |
| Complexity | 578.0 |
| SMILES | C1CN(CC=C1C2=NCC(=O)NN2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O.Cl |
| InChIKey | KDDVDOZLVZODKF-UHFFFAOYSA-N |
Chemical Property Profile of 2-bromo-1-(2-furyl)-1-ethanone
Property Insights of 2-bromo-1-(2-furyl)-1-ethanone
The XLogP value of 0.715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-1-(2-furyl)-1-ethanone. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-1-(2-furyl)-1-ethanone. Following Lipinski's Rule of Five, 2-bromo-1-(2-furyl)-1-ethanone has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-bromo-1-(2-furyl)-1-ethanone?
The CAS number of 2-bromo-1-(2-furyl)-1-ethanone is 151092-59-0.
What is the molecular formula of 2-bromo-1-(2-furyl)-1-ethanone?
The molecular formula of 2-bromo-1-(2-furyl)-1-ethanone is C16H20ClN5O4.
What is the molecular weight of 2-bromo-1-(2-furyl)-1-ethanone?
The molecular weight of 2-bromo-1-(2-furyl)-1-ethanone is 381.1204 g/mol.
Where can I buy 2-bromo-1-(2-furyl)-1-ethanone?
You can request a quote for 2-bromo-1-(2-furyl)-1-ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-bromo-1-(2-furyl)-1-ethanone?
Yes, CoreyChem provides custom synthesis services for 2-bromo-1-(2-furyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.