3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate
TL;DR: 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate (CAS 130548-45-7) is a chemical compound with molecular formula C19H26FN3O6S and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
Also Known As: 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate, 7-[(3S)-3-Aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--methanesulfonic acid (1/1), 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid, RefChem:282546
| Molecular Formula | C19H26FN3O6S |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 1.6352 |
| Topological Polar Surface Area | 142.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.15265 |
| Heavy Atoms | 30 |
| Complexity | 1129.6348 |
Chemical Identifiers
| CAS Number | 130548-45-7 |
|---|---|
| SMILES | CC(C)(C)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)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate (CAS 130548-45-7), with molecular formula C19H26FN3O6S and molecular weight 443.15 g/mol. IUPAC: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid.
Chemical Property Profile of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate
Property Insights of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate
The XLogP value of 1.6352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate. The TPSA of 142.93 Ų indicates high polarity, suggesting 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate 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)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate 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)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate?
The CAS number of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate is 130548-45-7.
What is the molecular formula of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate?
The molecular formula of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate is C19H26FN3O6S.
What is the molecular weight of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate?
The molecular weight of 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate is 443.15 g/mol.
Where can I buy 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate?
You can request a quote for 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate 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)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.