R-71762
TL;DR: R-71762 (CAS 195048-23-8) is a chemical compound with molecular formula C22H20F2N4O4 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-2-(fluoromethyl)-10-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Also Known As: R-71762, R 71762, J1.053.148I, fluoro-(fluoromethyl)-oxo-[4-(2-pyridyl)piperazin-1-yl][?]carboxylic acid, (+/-) 9-Fluoro-3-fluoromethyl-2,3-dihydro-10-[4-(2-pyridyl)-1-piperazinyl]-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid
| Molecular Formula | C22H20F2N4O4 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.14526 |
| Heavy Atoms | 32 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 195048-23-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C3=C(C=C4C5=C3OCC(N5C=C(C4=O)C(=O)O)CF)F |
| InChIKey | FASWMSDWHLSHQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
R-71762 (CAS 195048-23-8), with molecular formula C22H20F2N4O4 and molecular weight 442.15 g/mol. IUPAC: 7-fluoro-2-(fluoromethyl)-10-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.
Chemical Property Profile of R-71762
Property Insights of R-71762
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for R-71762. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for R-71762. Following Lipinski's Rule of Five, R-71762 has 1 hydrogen bond donor(s) and 10 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 R-71762?
The CAS number of R-71762 is 195048-23-8.
What is the molecular formula of R-71762?
The molecular formula of R-71762 is C22H20F2N4O4.
What is the molecular weight of R-71762?
The molecular weight of R-71762 is 442.15 g/mol.
Where can I buy R-71762?
You can request a quote for R-71762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R-71762?
Yes, KEHONG BIO provides custom synthesis services for R-71762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.