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Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate
TL;DR: Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate (CAS 708249-15-4) is a chemical compound with molecular formula C20H21NO6S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(2-((4-methoxybenzyl)thio)acetamido)terephthalate, dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate, dimethyl 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
| Molecular Formula | C20H21NO6S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.1403 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.10895 |
| Heavy Atoms | 28 |
| Complexity | 850.2745 |
Chemical Identifiers
| CAS Number | 708249-15-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate (CAS 708249-15-4), with molecular formula C20H21NO6S and molecular weight 403.11 g/mol. IUPAC: dimethyl 2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate
Property Insights of Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate
The XLogP value of 3.1403 indicates that Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate has 1 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 Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate?
The CAS number of Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate is 708249-15-4.
What is the molecular formula of Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate?
The molecular formula of Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate is C20H21NO6S.
What is the molecular weight of Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate?
The molecular weight of Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate is 403.11 g/mol.
Where can I buy Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate?
You can request a quote for Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-({[(4-methoxybenzyl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.