1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (3S-cis)-, monomethanesulfonate
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-, (3S-cis)-, monomethanesulfonate (CAS 144176-57-8) 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-[(3S,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-, (3S-cis)-, monomethanesulfonate, 7-[(3S,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-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid, RefChem:221885
| 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 | 144176-57-8 |
|---|---|
| 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-, (3S-cis)-, monomethanesulfonate (CAS 144176-57-8), with molecular formula C19H27FN4O6S and molecular weight 458.16 g/mol. IUPAC: 7-[(3S,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-, (3S-cis)-, monomethanesulfonate
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-, (3S-cis)-, monomethanesulfonate
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-, (3S-cis)-, monomethanesulfonate. 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-, (3S-cis)-, monomethanesulfonate 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-, (3S-cis)-, monomethanesulfonate 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-, (3S-cis)-, monomethanesulfonate?
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-, (3S-cis)-, monomethanesulfonate is 144176-57-8.
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-, (3S-cis)-, monomethanesulfonate?
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-, (3S-cis)-, monomethanesulfonate 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-, (3S-cis)-, monomethanesulfonate?
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-, (3S-cis)-, monomethanesulfonate 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-, (3S-cis)-, monomethanesulfonate?
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-, (3S-cis)-, monomethanesulfonate 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-, (3S-cis)-, monomethanesulfonate?
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-, (3S-cis)-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.