7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-
TL;DR: 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo- (CAS 115550-46-4) is a chemical compound with molecular formula C18H21FN4O4 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-2-methyl-6-[3-(methylaminomethyl)pyrrolidin-1-yl]-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Also Known As: 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-, 9-Fluoro-3-methyl-10-{3-[(methylamino)methyl]pyrrolidin-1-yl}-7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid, RefChem:311475
| Molecular Formula | C18H21FN4O4 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 0.8022 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1547 |
| Heavy Atoms | 27 |
| Complexity | 989.71106 |
Chemical Identifiers
| CAS Number | 115550-46-4 |
|---|---|
| SMILES | CNCC1CCN(C1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F |
Product Overview
7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo- (CAS 115550-46-4), with molecular formula C18H21FN4O4 and molecular weight 376.15 g/mol. IUPAC: 7-fluoro-2-methyl-6-[3-(methylaminomethyl)pyrrolidin-1-yl]-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.
Chemical Property Profile of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-
Property Insights of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-
The XLogP value of 0.8022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-. Following Lipinski's Rule of Five, 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo- has 2 hydrogen bond donor(s) and 6 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 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-?
The CAS number of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo- is 115550-46-4.
What is the molecular formula of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-?
The molecular formula of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo- is C18H21FN4O4.
What is the molecular weight of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-?
The molecular weight of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo- is 376.15 g/mol.
Where can I buy 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-?
You can request a quote for 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(3-((methylamino)methyl)-1-pyrrolidinyl)-7-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.