C17H16FN3O3S.1/2H2O
TL;DR: C17H16FN3O3S.1/2H2O (CAS 84339-08-2) is a chemical compound with molecular formula C17H16FN3O3S and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
Also Known As: C17H16FN3O3S.1/2H2O, 7-Fluoro-1-methyl-5-oxo-8-(1-piperazinyl)-5H-thiazolo(3,2-a)quinoline-4-carboxylic acid, C17-H16-F-N3-O3-S.1/2H2-O, 5H-Thiazolo(3,2-a)quinoline-4-carboxylic acid, 7-fluoro-1-methyl-5-oxo-8-(1-piperazinyl)-, hydrate (2:1), 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a
| Molecular Formula | C17H16FN3O3S |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 2.06952 |
| Topological Polar Surface Area | 74.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.08963 |
| Heavy Atoms | 25 |
| Complexity | 1066.6017 |
Chemical Identifiers
| CAS Number | 84339-08-2 |
|---|---|
| SMILES | CC1=CSC2=C(C(=O)C3=CC(=C(C=C3N12)N4CCNCC4)F)C(=O)O |
Product Overview
C17H16FN3O3S.1/2H2O (CAS 84339-08-2), with molecular formula C17H16FN3O3S and molecular weight 361.09 g/mol. IUPAC: 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.
Chemical Property Profile of C17H16FN3O3S.1/2H2O
Property Insights of C17H16FN3O3S.1/2H2O
The XLogP value of 2.06952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H16FN3O3S.1/2H2O. The TPSA of 74.05 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H16FN3O3S.1/2H2O. Following Lipinski's Rule of Five, C17H16FN3O3S.1/2H2O has 2 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 C17H16FN3O3S.1/2H2O?
The CAS number of C17H16FN3O3S.1/2H2O is 84339-08-2.
What is the molecular formula of C17H16FN3O3S.1/2H2O?
The molecular formula of C17H16FN3O3S.1/2H2O is C17H16FN3O3S.
What is the molecular weight of C17H16FN3O3S.1/2H2O?
The molecular weight of C17H16FN3O3S.1/2H2O is 361.09 g/mol.
Where can I buy C17H16FN3O3S.1/2H2O?
You can request a quote for C17H16FN3O3S.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16FN3O3S.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C17H16FN3O3S.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.