METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE
TL;DR: METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE (CAS 497060-59-0) is a chemical compound with molecular formula C21H25FN2O6S and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]acetate
Also Known As: METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE, methyl 2-(2-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-4,5-dimethoxyphenyl)acetate, Methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethoxy-phenyl]acetate, methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]acetate, methyl 2-(2-{[4-(2-fluorophenyl)piperazino]sulfonyl}-4,5-dimethoxyphenyl)acetate
| Molecular Formula | C21H25FN2O6S |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 2.0693 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.14172 |
| Heavy Atoms | 31 |
| Complexity | 1051.8307 |
Chemical Identifiers
| CAS Number | 497060-59-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F)OC |
Product Overview
METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE (CAS 497060-59-0), with molecular formula C21H25FN2O6S and molecular weight 452.14 g/mol. IUPAC: methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethoxyphenyl]acetate.
Chemical Property Profile of METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE
Property Insights of METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE
The XLogP value of 2.0693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE. Following Lipinski's Rule of Five, METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE has 0 hydrogen bond donor(s) and 7 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-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE?
The CAS number of METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is 497060-59-0.
What is the molecular formula of METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE?
The molecular formula of METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is C21H25FN2O6S.
What is the molecular weight of METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE?
The molecular weight of METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE is 452.14 g/mol.
Where can I buy METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE?
You can request a quote for METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)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-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-(2-((4-(2-FLUOROPHENYL)PIPERAZINYL)SULFONYL)-4,5-DIMETHOXYPHENYL)ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.