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Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate
TL;DR: Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate (CAS 477887-68-6) is a chemical compound with molecular formula C18H21NO6S and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate
Also Known As: 2P-521S, methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate, methyl 2-{2-[(benzylamino)sulfonyl]-4,5-dimethoxyphenyl}acetate, Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxy-phenyl]acetate
| Molecular Formula | C18H21NO6S |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 1.8978 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.10895 |
| Heavy Atoms | 26 |
| Complexity | 864.7501 |
Chemical Identifiers
| CAS Number | 477887-68-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)S(=O)(=O)NCC2=CC=CC=C2)OC |
Product Overview
Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate (CAS 477887-68-6), with molecular formula C18H21NO6S and molecular weight 379.11 g/mol. IUPAC: methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate.
Chemical Property Profile of Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate
Property Insights of Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate
The XLogP value of 1.8978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]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-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate?
The CAS number of Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate is 477887-68-6.
What is the molecular formula of Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate?
The molecular formula of Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate is C18H21NO6S.
What is the molecular weight of Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate?
The molecular weight of Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate is 379.11 g/mol.
Where can I buy Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate?
You can request a quote for Methyl 2-[2-(benzylsulfamoyl)-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-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-(benzylsulfamoyl)-4,5-dimethoxyphenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.