N-Allylpefloxacin
TL;DR: N-Allylpefloxacin (CAS 70458-97-8) is a chemical compound with molecular formula C19H22FN3O3 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-fluoro-4-oxo-7-(4-prop-2-enylpiperazin-1-yl)quinoline-3-carboxylic acid
Also Known As: N-Allylpefloxacin, 3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(4-(2-propenyl)-1-piperazinyl)-, 7-(4-Allylpiperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 1-ethyl-6-fluoro-4-oxo-7-[4-(prop-2-en-1-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid, 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-allylpiperazino)-4-oxo-3-quinolinecarboxylic acid
| Molecular Formula | C19H22FN3O3 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 2.1667 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.16452 |
| Heavy Atoms | 26 |
| Complexity | 914.3658 |
Chemical Identifiers
| CAS Number | 70458-97-8 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC=C)F)C(=O)O |
Product Overview
N-Allylpefloxacin (CAS 70458-97-8), with molecular formula C19H22FN3O3 and molecular weight 359.16 g/mol. IUPAC: 1-ethyl-6-fluoro-4-oxo-7-(4-prop-2-enylpiperazin-1-yl)quinoline-3-carboxylic acid.
Chemical Property Profile of N-Allylpefloxacin
Property Insights of N-Allylpefloxacin
The XLogP value of 2.1667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allylpefloxacin. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Allylpefloxacin. Following Lipinski's Rule of Five, N-Allylpefloxacin has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Allylpefloxacin?
The CAS number of N-Allylpefloxacin is 70458-97-8.
What is the molecular formula of N-Allylpefloxacin?
The molecular formula of N-Allylpefloxacin is C19H22FN3O3.
What is the molecular weight of N-Allylpefloxacin?
The molecular weight of N-Allylpefloxacin is 359.16 g/mol.
Where can I buy N-Allylpefloxacin?
You can request a quote for N-Allylpefloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allylpefloxacin?
Yes, KEHONG BIO provides custom synthesis services for N-Allylpefloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.