Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate
TL;DR: Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate (CAS 794545-25-8) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: starbld0008383, Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate, 1,4-dimethyl 2-[2-(methylsulfanyl)pyridine-3-amido]benzene-1,4-dicarboxylate, dimethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzene-1,4-dicarboxylate
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 2.629 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 822.43555 |
Chemical Identifiers
| CAS Number | 794545-25-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=C(N=CC=C2)SC |
Product Overview
Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate (CAS 794545-25-8), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: dimethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate
Property Insights of Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate
The XLogP value of 2.629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate 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-(2-(methylthio)nicotinamido)terephthalate?
The CAS number of Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate is 794545-25-8.
What is the molecular formula of Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate?
The molecular formula of Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate is C17H16N2O5S.
What is the molecular weight of Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate?
The molecular weight of Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate is 360.08 g/mol.
Where can I buy Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate?
You can request a quote for Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(2-(methylthio)nicotinamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.