Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate
TL;DR: Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate (CAS 497060-58-9) is a chemical compound with molecular formula C21H26N2O6S and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetate
Also Known As: AO-990/15068135, methyl 2-{4,5-dimethoxy-2-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}acetate, METHYL 2-(4,5-DIMETHOXY-2-((4-PHENYLPIPERAZINYL)SULFONYL)PHENYL)ACETATE, Methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]acetate, methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetate
| Molecular Formula | C21H26N2O6S |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 1.9302 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.15115 |
| Heavy Atoms | 30 |
| Complexity | 986.0562 |
Chemical Identifiers
| CAS Number | 497060-58-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)OC |
Product Overview
Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate (CAS 497060-58-9), with molecular formula C21H26N2O6S and molecular weight 434.15 g/mol. IUPAC: methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetate.
Chemical Property Profile of Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate
Property Insights of Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate
The XLogP value of 1.9302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)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-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate?
The CAS number of Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate is 497060-58-9.
What is the molecular formula of Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate?
The molecular formula of Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate is C21H26N2O6S.
What is the molecular weight of Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate?
The molecular weight of Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate is 434.15 g/mol.
Where can I buy Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate?
You can request a quote for Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)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-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4,5-dimethoxy-2-((4-phenylpiperazinyl)sulfonyl)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.