1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate
TL;DR: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate (CAS 125197-24-2) is a chemical compound with molecular formula C19H27FN4O6S and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
Also Known As: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate, 7-[(3R,4S)-3-Amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--methanesulfonic acid (1/1), 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid, 7-[(3S,4R)-3-Amino-4-methyl-1-pyrrolidinyl]-1-(tert-butyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid methanesulfonate, RefChem:221888
| Molecular Formula | C19H27FN4O6S |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 1.2762 |
| Topological Polar Surface Area | 155.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.16354 |
| Heavy Atoms | 31 |
| Complexity | 1154.6044 |
Chemical Identifiers
| CAS Number | 125197-24-2 |
|---|---|
| SMILES | C[C@H]1CN(C[C@@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F.CS(=O)(=O)O |
Product Overview
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate (CAS 125197-24-2), with molecular formula C19H27FN4O6S and molecular weight 458.16 g/mol. IUPAC: 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid.
Chemical Property Profile of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate
Property Insights of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate
The XLogP value of 1.2762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate. The TPSA of 155.82 Ų indicates high polarity, suggesting 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate has 3 hydrogen bond donor(s) and 7 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 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate?
The CAS number of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate is 125197-24-2.
What is the molecular formula of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate?
The molecular formula of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate is C19H27FN4O6S.
What is the molecular weight of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate?
The molecular weight of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate is 458.16 g/mol.
Where can I buy 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate?
You can request a quote for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, trans-(+-)-, monomethanesulfonate, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.