3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one
TL;DR: 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one (CAS 866341-19-7) is a chemical compound with molecular formula C21H20ClFO5S and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one
Also Known As: 3-(3-chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one, 3-(3-chloro-4-fluoro-phenyl)sulfonyl-6-hexyl-7-hydroxy-coumarin, 3-((3-chloro-4-fluorophenyl)sulfonyl)-6-hexyl-7-hydroxy-2H-chromen-2-one, 3-(3-chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxy-1-benzopyran-2-one, 3-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-6-hexyl-7-oxidanyl-chromen-2-one
| Molecular Formula | C21H20ClFO5S |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 5.2467 |
| Topological Polar Surface Area | 84.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.0704 |
| Heavy Atoms | 29 |
| Complexity | 1217.704 |
Chemical Identifiers
| CAS Number | 866341-19-7 |
|---|---|
| SMILES | CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)O |
Product Overview
3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one (CAS 866341-19-7), with molecular formula C21H20ClFO5S and molecular weight 438.07 g/mol. IUPAC: 3-(3-chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one.
Chemical Property Profile of 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one
Property Insights of 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one
The XLogP value of 5.2467 indicates that 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one. Following Lipinski's Rule of Five, 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one?
The CAS number of 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one is 866341-19-7.
What is the molecular formula of 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one?
The molecular formula of 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one is C21H20ClFO5S.
What is the molecular weight of 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one?
The molecular weight of 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one is 438.07 g/mol.
Where can I buy 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one?
You can request a quote for 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-fluorophenyl)sulfonyl-6-hexyl-7-hydroxychromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.