6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
TL;DR: 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide (CAS 873080-71-8) is a chemical compound with molecular formula C22H19ClFNO5S and molecular weight 463.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-7-methyl-4-oxochromene-2-carboxamide
Also Known As: 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide, 6-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-7-methyl-4-oxochromene-2-carboxamide
| Molecular Formula | C22H19ClFNO5S |
|---|---|
| Molecular Weight | 463.07 g/mol |
| LogP | 3.72342 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.06564 |
| Heavy Atoms | 31 |
| Complexity | 1334.5038 |
Chemical Identifiers
| CAS Number | 873080-71-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)N(CC3=CC=C(C=C3)F)C4CCS(=O)(=O)C4 |
Product Overview
6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide (CAS 873080-71-8), with molecular formula C22H19ClFNO5S and molecular weight 463.07 g/mol. IUPAC: 6-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-7-methyl-4-oxochromene-2-carboxamide.
Chemical Property Profile of 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
Property Insights of 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
The XLogP value of 3.72342 indicates that 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide. Following Lipinski's Rule of Five, 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide has 0 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 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The CAS number of 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is 873080-71-8.
What is the molecular formula of 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The molecular formula of 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is C22H19ClFNO5S.
What is the molecular weight of 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
The molecular weight of 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide is 463.07 g/mol.
Where can I buy 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
You can request a quote for 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.