3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate
TL;DR: 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate (CAS 130435-61-9) is a chemical compound with molecular formula C19H25F2N3O6S and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
Also Known As: 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate, 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-1,4-dihydro-4-oxo-, (S)-, monomethane sulfonate, 7-[(3S)-3-Aminopyrrolidin-1-yl]-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--methanesulfonic acid (1/1), 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid, RefChem:282547
| Molecular Formula | C19H25F2N3O6S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 1.5848 |
| Topological Polar Surface Area | 142.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.14322 |
| Heavy Atoms | 31 |
| Complexity | 1155.4227 |
Chemical Identifiers
| CAS Number | 130435-61-9 |
|---|---|
| SMILES | CC(C)(CF)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC[C@@H](C3)N)F)C(=O)O.CS(=O)(=O)O |
Product Overview
3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate (CAS 130435-61-9), with molecular formula C19H25F2N3O6S and molecular weight 461.14 g/mol. IUPAC: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid.
Chemical Property Profile of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate
Property Insights of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate
The XLogP value of 1.5848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate. The TPSA of 142.93 Ų indicates high polarity, suggesting 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate has 3 hydrogen bond donor(s) and 6 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 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate?
The CAS number of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate is 130435-61-9.
What is the molecular formula of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate?
The molecular formula of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate is C19H25F2N3O6S.
What is the molecular weight of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate?
The molecular weight of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate is 461.14 g/mol.
Where can I buy 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate?
You can request a quote for 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.