A2897/0122040
TL;DR: A2897/0122040 (CAS 488708-83-4) is a chemical compound with molecular formula C26H27FN4O6S and molecular weight 542.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: A2897/0122040, 7-[4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, 7-(4-((2,6-dimethoxybenzoyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-(4-{[(2,6-dimethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-(4-{[(2,6-DIMETHOXYPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-1-ETHYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
| Molecular Formula | C26H27FN4O6S |
|---|---|
| Molecular Weight | 542.16 g/mol |
| LogP | 2.7128 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.1635 |
| Heavy Atoms | 38 |
| Complexity | 1460.5703 |
Chemical Identifiers
| CAS Number | 488708-83-4 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=C(C=CC=C4OC)OC)F)C(=O)O |
Product Overview
A2897/0122040 (CAS 488708-83-4), with molecular formula C26H27FN4O6S and molecular weight 542.16 g/mol. IUPAC: 7-[4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of A2897/0122040
Property Insights of A2897/0122040
The XLogP value of 2.7128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2897/0122040. The TPSA of 113.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A2897/0122040. Following Lipinski's Rule of Five, A2897/0122040 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2897/0122040?
The CAS number of A2897/0122040 is 488708-83-4.
What is the molecular formula of A2897/0122040?
The molecular formula of A2897/0122040 is C26H27FN4O6S.
What is the molecular weight of A2897/0122040?
The molecular weight of A2897/0122040 is 542.16 g/mol.
Where can I buy A2897/0122040?
You can request a quote for A2897/0122040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2897/0122040?
Yes, KEHONG BIO provides custom synthesis services for A2897/0122040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.