methyl 4-chloro-2-hydroxyiminoacetoacetate
TL;DR: methyl 4-chloro-2-hydroxyiminoacetoacetate (CAS 84209-33-6) is a chemical compound with molecular formula C16H18F2N4O3 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: methyl 4-chloro-2-hydroxyiminoacetoacetate, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-6-fluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-, 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid, 1,8-Naphthyridine-3-carboxylicacid, 6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, 6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C16H18F2N4O3 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 0.9551 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1347 |
| Heavy Atoms | 25 |
| Complexity | 875.78937 |
Chemical Identifiers
| CAS Number | 84209-33-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=N2)CCF)C(=O)O)F |
Product Overview
methyl 4-chloro-2-hydroxyiminoacetoacetate (CAS 84209-33-6), with molecular formula C16H18F2N4O3 and molecular weight 352.13 g/mol. IUPAC: 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of methyl 4-chloro-2-hydroxyiminoacetoacetate
Property Insights of methyl 4-chloro-2-hydroxyiminoacetoacetate
The XLogP value of 0.9551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-chloro-2-hydroxyiminoacetoacetate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-chloro-2-hydroxyiminoacetoacetate. Following Lipinski's Rule of Five, methyl 4-chloro-2-hydroxyiminoacetoacetate 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
Frequently Asked Questions
What is the CAS number of methyl 4-chloro-2-hydroxyiminoacetoacetate?
The CAS number of methyl 4-chloro-2-hydroxyiminoacetoacetate is 84209-33-6.
What is the molecular formula of methyl 4-chloro-2-hydroxyiminoacetoacetate?
The molecular formula of methyl 4-chloro-2-hydroxyiminoacetoacetate is C16H18F2N4O3.
What is the molecular weight of methyl 4-chloro-2-hydroxyiminoacetoacetate?
The molecular weight of methyl 4-chloro-2-hydroxyiminoacetoacetate is 352.13 g/mol.
Where can I buy methyl 4-chloro-2-hydroxyiminoacetoacetate?
You can request a quote for methyl 4-chloro-2-hydroxyiminoacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-chloro-2-hydroxyiminoacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-chloro-2-hydroxyiminoacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.