Ro 19-7728
TL;DR: Ro 19-7728 (CAS 104638-13-3) is a chemical compound with molecular formula C17H18F3N3O4 and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylic acid
Also Known As: Fleroxacin N-oxide, Ro 19-7728, Ro-19-7728, 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylic acid, 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-1-
| Molecular Formula | C17H18F3N3O4 |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.12494 |
| Heavy Atoms | 27 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 104638-13-3 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F)[O-] |
| InChIKey | DMTYHDPHOWDSJJ-UHFFFAOYSA-N |
Product Overview
Ro 19-7728 (CAS 104638-13-3), with molecular formula C17H18F3N3O4 and molecular weight 385.12 g/mol. IUPAC: 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Ro 19-7728
Property Insights of Ro 19-7728
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 19-7728. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 19-7728. Following Lipinski's Rule of Five, Ro 19-7728 has 1 hydrogen bond donor(s) and 9 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 Ro 19-7728?
The CAS number of Ro 19-7728 is 104638-13-3.
What is the molecular formula of Ro 19-7728?
The molecular formula of Ro 19-7728 is C17H18F3N3O4.
What is the molecular weight of Ro 19-7728?
The molecular weight of Ro 19-7728 is 385.12 g/mol.
Where can I buy Ro 19-7728?
You can request a quote for Ro 19-7728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 19-7728?
Yes, KEHONG BIO provides custom synthesis services for Ro 19-7728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.