7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-
TL;DR: 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- (CAS 115550-40-8) is a chemical compound with molecular formula C16H17FN4O4 and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-aminopyrrolidin-1-yl)-7-fluoro-2-methyl-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-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-, 7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylicacid, 10-(3-amino-1-pyrrolidinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, 10-(3-Aminopyrrolidin-1-yl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid, RefChem:311472
| Molecular Formula | C16H17FN4O4 |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 0.2939 |
| Topological Polar Surface Area | 101.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.12338 |
| Heavy Atoms | 25 |
| Complexity | 957.5259 |
Chemical Identifiers
| CAS Number | 115550-40-8 |
|---|---|
| SMILES | CN1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(C4)N)F)C(=O)O |
Product Overview
7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- (CAS 115550-40-8), with molecular formula C16H17FN4O4 and molecular weight 348.12 g/mol. IUPAC: 6-(3-aminopyrrolidin-1-yl)-7-fluoro-2-methyl-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-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-
Property Insights of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-
The XLogP value of 0.2939 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-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-. The TPSA of 101.03 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-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-. Following Lipinski's Rule of Five, 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-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-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-?
The CAS number of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- is 115550-40-8.
What is the molecular formula of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-?
The molecular formula of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- is C16H17FN4O4.
What is the molecular weight of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-?
The molecular weight of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- is 348.12 g/mol.
Where can I buy 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-?
You can request a quote for 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-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-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-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-10-(3-amino-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.