methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate
TL;DR: methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate (CAS 1023505-87-4) is a chemical compound with molecular formula C22H25ClF3N3O6S and molecular weight 551.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethoxyphenyl]acetate
Also Known As: methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate, methyl 2-[2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethoxyphenyl]acetate, methyl 2-[2-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}sulfonyl)-4,5-dimethoxyphenyl]acetate, methyl 2-[2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethoxy-phenyl]acetate, C22H25ClF3N3O6S
| Molecular Formula | C22H25ClF3N3O6S |
|---|---|
| Molecular Weight | 551.11 g/mol |
| LogP | 3.3875 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 551.1105 |
| Heavy Atoms | 36 |
| Complexity | 1226.2397 |
Chemical Identifiers
| CAS Number | 1023505-87-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)OC |
Product Overview
methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate (CAS 1023505-87-4), with molecular formula C22H25ClF3N3O6S and molecular weight 551.11 g/mol. IUPAC: methyl 2-[2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]sulfonyl]-4,5-dimethoxyphenyl]acetate.
Chemical Property Profile of methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate
Property Insights of methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate
The XLogP value of 3.3875 indicates that methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate. Following Lipinski's Rule of Five, methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate?
The CAS number of methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate is 1023505-87-4.
What is the molecular formula of methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate?
The molecular formula of methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate is C22H25ClF3N3O6S.
What is the molecular weight of methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate?
The molecular weight of methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate is 551.11 g/mol.
Where can I buy methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate?
You can request a quote for methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)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-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))sulfonyl)-4,5-dimethoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.