A 80556
TL;DR: A 80556 (CAS 121357-19-5) is a chemical compound with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: A 80556, A-80556, A-65326, 7-[(2s,4s)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[(2S,4S)-4-amino-2-methyl-pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
| Molecular Formula | C21H18F3N3O3 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.13004 |
| Heavy Atoms | 30 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 121357-19-5 |
|---|---|
| SMILES | C[C@H]1C[C@@H](CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F)N |
| InChIKey | CQSCBORSOIETFL-JQWIXIFHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
A 80556 (CAS 121357-19-5), with molecular formula C21H18F3N3O3 and molecular weight 417.13 g/mol. IUPAC: 7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of A 80556
Property Insights of A 80556
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A 80556. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for A 80556. Following Lipinski's Rule of Five, A 80556 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 A 80556?
The CAS number of A 80556 is 121357-19-5.
What is the molecular formula of A 80556?
The molecular formula of A 80556 is C21H18F3N3O3.
What is the molecular weight of A 80556?
The molecular weight of A 80556 is 417.13 g/mol.
Where can I buy A 80556?
You can request a quote for A 80556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 80556?
Yes, KEHONG BIO provides custom synthesis services for A 80556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.