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Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate
TL;DR: Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate (CAS 335414-83-0) is a chemical compound with molecular formula C17H19NO6S and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetate
Also Known As: BAS 02207433, AB00104386-01, methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate, methyl 2-(N-(3,4-dimethoxyphenyl)phenylsulfonamido)acetate, [Benzenesulfonyl-(3,4-dimethoxy-phenyl)-amino]-acetic acid methyl ester
| Molecular Formula | C17H19NO6S |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | 2.0721 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.09332 |
| Heavy Atoms | 25 |
| Complexity | 835.4715 |
Chemical Identifiers
| CAS Number | 335414-83-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2)OC |
Product Overview
Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate (CAS 335414-83-0), with molecular formula C17H19NO6S and molecular weight 365.09 g/mol. IUPAC: methyl 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetate.
Chemical Property Profile of Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate
Property Insights of Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate
The XLogP value of 2.0721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate. Following Lipinski's Rule of Five, Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate has 0 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 [3,4-dimethoxy(phenylsulfonyl)anilino]acetate?
The CAS number of Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate is 335414-83-0.
What is the molecular formula of Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate?
The molecular formula of Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate is C17H19NO6S.
What is the molecular weight of Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate?
The molecular weight of Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate is 365.09 g/mol.
Where can I buy Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate?
You can request a quote for Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [3,4-dimethoxy(phenylsulfonyl)anilino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.