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Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate
TL;DR: Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate (CAS 1022045-36-8) is a chemical compound with molecular formula C18H18F3NO6S and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetate
Also Known As: methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate, Methyl 2-[4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetate, METHYL 2-(4,5-DIMETHOXY-2-(((3-(TRIFLUOROMETHYL)PHENYL)AMINO)SULFONYL)PHENYL)ACETATE, methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)anilino]sulfonyl}phenyl)acetate, methyl 2-[4,5-dimethoxy-2-({[3-(trifluoromethyl)phenyl]amino}sulfonyl)phenyl]a cetate
| Molecular Formula | C18H18F3NO6S |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 3.2389 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.0807 |
| Heavy Atoms | 29 |
| Complexity | 1005.1414 |
Chemical Identifiers
| CAS Number | 1022045-36-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)OC |
Product Overview
Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate (CAS 1022045-36-8), with molecular formula C18H18F3NO6S and molecular weight 433.08 g/mol. IUPAC: methyl 2-[4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetate.
Chemical Property Profile of Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate
Property Insights of Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate
The XLogP value of 3.2389 indicates that Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate has 1 hydrogen bond donor(s) and 6 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 Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate?
The CAS number of Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate is 1022045-36-8.
What is the molecular formula of Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate?
The molecular formula of Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate is C18H18F3NO6S.
What is the molecular weight of Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate?
The molecular weight of Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate is 433.08 g/mol.
Where can I buy Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate?
You can request a quote for Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4,5-dimethoxy-2-{[3-(trifluoromethyl)phenyl]sulfamoyl}phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.