1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-
TL;DR: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)- (CAS 138668-61-8) is a chemical compound with molecular formula C20H19ClF2N4O3 and molecular weight 436.1114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
Also Known As: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-, 7-[(3S)-3-Aminopyrrolidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--hydrogen chloride (1/1), 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrochloride
Technical Specifications
| Molecular Formula | C20H19ClF2N4O3 |
| Molecular Weight | 436.1114 g/mol |
| XLogP | 2.62972 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.1114 Da |
| Heavy Atoms | 30 |
| Complexity | 697.0 |
| SMILES | CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)N)C4=CC=C(C=C4)F)C(=O)O.Cl |
| InChIKey | CCNRSJHOFXAZRS-YDALLXLXSA-N |
Chemical Property Profile of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-
Property Insights of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-
The XLogP value of 2.62972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-. Following Lipinski's Rule of Five, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)- has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-?
The CAS number of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)- is 138668-61-8.
What is the molecular formula of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-?
The molecular formula of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)- is C20H19ClF2N4O3.
What is the molecular weight of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-?
The molecular weight of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)- is 436.1114 g/mol.
Where can I buy 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-?
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Does CoreyChem offer custom synthesis for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-?
Yes, CoreyChem provides custom synthesis services for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.