1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
TL;DR: 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (CAS 372156-02-0) is a chemical compound with molecular formula C21H25FN6O2S and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
Also Known As: 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide, 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
| Molecular Formula | C21H25FN6O2S |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 2.5785 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.17438 |
| Heavy Atoms | 31 |
| Complexity | 1182.562 |
Chemical Identifiers
| CAS Number | 372156-02-0 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)C)CC |
Product Overview
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (CAS 372156-02-0), with molecular formula C21H25FN6O2S and molecular weight 444.17 g/mol. IUPAC: 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide.
Chemical Property Profile of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Property Insights of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
The XLogP value of 2.5785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide. Following Lipinski's Rule of Five, 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide 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
Frequently Asked Questions
What is the CAS number of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide?
The CAS number of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide is 372156-02-0.
What is the molecular formula of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide?
The molecular formula of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide is C21H25FN6O2S.
What is the molecular weight of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide?
The molecular weight of 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide is 444.17 g/mol.
Where can I buy 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide?
You can request a quote for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.