(S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid
TL;DR: (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid (CAS 143383-60-2) is a chemical compound with molecular formula C23H22F3N3O3 and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
Also Known As: (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-(1-aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, (S-(R*,S*))-, 1,4-Dihydro-6-fluoro-1-(2,4-difluorophenyl)-5-methyl-7-[(3R)-3-[(S)-1-aminoethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid, 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C23H22F3N3O3 |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.16132 |
| Heavy Atoms | 32 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 143383-60-2 |
|---|---|
| SMILES | CC1=C2C(=CC(=C1F)N3CC[C@H](C3)[C@H](C)N)N(C=C(C2=O)C(=O)O)C4=C(C=C(C=C4)F)F |
| InChIKey | FPAATSNRMQKCCX-QWHCGFSZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid (CAS 143383-60-2), with molecular formula C23H22F3N3O3 and molecular weight 445.16 g/mol. IUPAC: 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid
Property Insights of (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid. Following Lipinski's Rule of Five, (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid has 2 hydrogen bond donor(s) and 9 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 (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid?
The CAS number of (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid is 143383-60-2.
What is the molecular formula of (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid?
The molecular formula of (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid is C23H22F3N3O3.
What is the molecular weight of (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid?
The molecular weight of (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid is 445.16 g/mol.
Where can I buy (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid?
You can request a quote for (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-3-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.