Gatifloxacin sesquihydrate
TL;DR: Gatifloxacin sesquihydrate (CAS 180200-66-2) is a chemical compound with molecular formula C38H50F2N6O11 and molecular weight 804.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid);trihydrate
Also Known As: Gatifloxacin sesquihydrate, Gatifloxacin, Zymaxid, Tequin, Zymar
| Molecular Formula | C38H50F2N6O11 |
|---|---|
| Molecular Weight | 804.35 g/mol |
| LogP | 1.4867 |
| Topological Polar Surface Area | 262.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 804.3506 |
| Heavy Atoms | 57 |
| Complexity | 2133.5154 |
Chemical Identifiers
| CAS Number | 180200-66-2 |
|---|---|
| SMILES | CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.O.O.O |
Product Overview
Gatifloxacin sesquihydrate (CAS 180200-66-2), with molecular formula C38H50F2N6O11 and molecular weight 804.35 g/mol. IUPAC: bis(1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid);trihydrate.
Chemical Property Profile of Gatifloxacin sesquihydrate
Property Insights of Gatifloxacin sesquihydrate
The XLogP value of 1.4867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gatifloxacin sesquihydrate. The TPSA of 262.1 Ų indicates high polarity, suggesting Gatifloxacin sesquihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gatifloxacin sesquihydrate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gatifloxacin sesquihydrate?
The CAS number of Gatifloxacin sesquihydrate is 180200-66-2.
What is the molecular formula of Gatifloxacin sesquihydrate?
The molecular formula of Gatifloxacin sesquihydrate is C38H50F2N6O11.
What is the molecular weight of Gatifloxacin sesquihydrate?
The molecular weight of Gatifloxacin sesquihydrate is 804.35 g/mol.
Where can I buy Gatifloxacin sesquihydrate?
You can request a quote for Gatifloxacin sesquihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gatifloxacin sesquihydrate?
Yes, KEHONG BIO provides custom synthesis services for Gatifloxacin sesquihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.