5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 339244-98-3) is a chemical compound with molecular formula C18H19F2N5O3S and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid, 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C18H19F2N5O3S |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 1.2606 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.11768 |
| Heavy Atoms | 29 |
| Complexity | 1107.3392 |
Chemical Identifiers
| CAS Number | 339244-98-3 |
|---|---|
| SMILES | C1CC1N2C=C(C(=O)C3=C(C(=C(C(=C32)F)N4CCN(CC4)C(=S)N)F)N)C(=O)O |
Product Overview
5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 339244-98-3), with molecular formula C18H19F2N5O3S and molecular weight 423.12 g/mol. IUPAC: 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 1.2606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 3 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 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 339244-98-3.
What is the molecular formula of 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C18H19F2N5O3S.
What is the molecular weight of 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 423.12 g/mol.
Where can I buy 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.