1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-
TL;DR: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- (CAS 138668-60-7) is a chemical compound with molecular formula C21H20ClF3N4O3 and molecular weight 468.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-[(3S)-3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
Also Known As: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-, 1-(2,4-Difluorophenyl)-6-fluoro-5-methyl-7-[(3S)-3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--hydrogen chloride (1/1), 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-[(3S)-3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrochloride, RefChem:221867
| Molecular Formula | C21H20ClF3N4O3 |
|---|---|
| Molecular Weight | 468.12 g/mol |
| LogP | 3.02952 |
| Topological Polar Surface Area | 87.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.1176 |
| Heavy Atoms | 32 |
| Complexity | 1281.6052 |
Chemical Identifiers
| CAS Number | 138668-60-7 |
|---|---|
| SMILES | CC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)NC)C4=C(C=C(C=C4)F)F)C(=O)O.Cl |
Product Overview
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- (CAS 138668-60-7), with molecular formula C21H20ClF3N4O3 and molecular weight 468.12 g/mol. IUPAC: 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-[(3S)-3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
Chemical Property Profile of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-
Property Insights of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-
The XLogP value of 3.02952 indicates that 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-. Following Lipinski's Rule of Five, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- has 2 hydrogen bond donor(s) and 5 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-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-?
The CAS number of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- is 138668-60-7.
What is the molecular formula of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-?
The molecular formula of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- is C21H20ClF3N4O3.
What is the molecular weight of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-?
The molecular weight of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- is 468.12 g/mol.
Where can I buy 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-?
You can request a quote for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- 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-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.