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Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate (CAS 663186-34-3) is a chemical compound with molecular formula C19H19NO5S and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-(ethylthio)benzamido)isophthalate, dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate, DIMETHYL 5-{[2-(ETHYLSULFANYL)BENZOYL]AMINO}ISOPHTHALATE, methyl 5-[(2-ethylthiophenyl)carbonylamino]-3-(methoxycarbonyl)benzoate, dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate
| Molecular Formula | C19H19NO5S |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 3.6241 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.0984 |
| Heavy Atoms | 26 |
| Complexity | 800.17926 |
Chemical Identifiers
| CAS Number | 663186-34-3 |
|---|---|
| SMILES | CCSC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate (CAS 663186-34-3), with molecular formula C19H19NO5S and molecular weight 373.10 g/mol. IUPAC: dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate
The XLogP value of 3.6241 indicates that Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate 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 Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate is 663186-34-3.
What is the molecular formula of Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate is C19H19NO5S.
What is the molecular weight of Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate is 373.10 g/mol.
Where can I buy Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-({[2-(ethylsulfanyl)phenyl]carbonyl}amino)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.